Structure of 4-Nitrobenzoic acid
CAS No.: 62-23-7
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Tian, Gui-Long ; Hsieh, Chia-Ju ; Taylor, Michelle ; Lee, Ji Youn ; Riad, Aladdin A. ; Luedtke, Robert R. , et al.
Abstract: The difference in the secondary binding site (SBS) between the dopamine 2 receptor (D2R) and dopamine 3 receptor (D3R) has been used in the design of compounds displaying selectivity for the D3R versus D2R. In the current study, a series of bitopic ligands based on Fallypride were prepared with various secondary binding fragments (SBFs) as a means of improving the selectivity of this benzamide analog for D3R versus D2R. We observed that compounds having a small alkyl group with a heteroatom led to an improvement in D3R versus D2R selectivity. Increasing the steric bulk in the SBF increase the distance between the pyrrolidine N and Asp110, thereby reducing D3R affinity. The best-in-series compound was (2S,4R)-trans-27 which had a modest selectivity for D3R versus D2R and a high potency in the β-arrestin competition assay which provides a measure of the ability of the compound to compete with endogenous dopamine for binding to the D3R. The results of this study identified factors one should consider when designing bitopic ligands based on Fallypride displaying an improved affinity for D3R versus D2R.
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Keywords: Dopamine 2 receptor ; Dopamine 3 receptor ; Fallypride ; Bitopic ligands ; PET imaging
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Purchased from AmBeed: 89031-84-5 ; 40216-83-9 ; 88-13-1 ; 135042-17-0 ; 110-52-1 ; 488-93-7 ; 18742-02-4 ; 98-98-6 ; 86864-60-0 ; 62-23-7 ; 29886-64-4 ; 59741-04-7 ; 4385-62-0 ; 15268-31-2 ; 134441-72-8 ; 54751-01-8 ; 166173-78-0 ; 213131-32-9 ; 98-98-6 ; 69966-55-8 ; 154342-67-3
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Jang, Mingyeong ; Lim, Taeho ; Park, Byoung Yong ; Han, Min Su ;
Abstract: In this study, we developed a metal-free and highly chemoselective method for the reduction of aromatic nitro compounds. This reduction was performed using tetrahydroxydiboron [B2(OH)4] as the reductant and 4,4'-bipyridine as the organocatalyst and could be completed within 5 min at room temperature. Under optimal conditions, nitroarenes with sensitive functional groups, such as vinyl, ethynyl, carbonyl, and halogen, were converted into the corresponding anilines with excellent selectivity while avoiding the undesirable reduction of the sensitive functional groups.
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Purchased from AmBeed: 607-35-2 ; 578-66-5 ; 613-50-3 ; 100-19-6 ; 579-71-5 ; 3034-94-4 ; 5683-43-2 ; 99-92-3 ; 13534-97-9 ; 5676-60-8 ; 5470-18-8 ; 619-45-4 ; 553-26-4 ; 580-15-4 ; 611-34-7 ; 619-72-7 ; 100-13-0 ; 540-37-4 ; 1849-25-8 ; 4487-59-6 ; 555-16-8 ; 6298-19-7 ; 556-08-1 ; 953-26-4 ; 54060-30-9 ; 62-23-7 ; 607-34-1 ; 3867-18-3 ; 873-74-5 ; 3544-24-9 ; 94-52-0 ; 1520-21-4 ; 5470-34-8 ; 619-50-1 ; 586-39-0 ; 934-22-5 ; 402-54-0 ; 15411-43-5 ; 455-14-1 ; 17763-80-3 ; 3085-54-9 ; 1942-30-9 ; 1694-20-8 ; 6305-66-4 ; 41656-75-1 ; 6393-17-5 ; 4309-66-4
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CAS No. : | 62-23-7 |
Formula : | C7H5NO4 |
M.W : | 167.12 |
SMILES Code : | O=C(O)C1=CC=C([N+]([O-])=O)C=C1 |
MDL No. : | MFCD00007352 |
InChI Key : | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
Pubchem ID : | 6108 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H341-H351-H361 |
Precautionary Statements: | P201-P202-P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P308+P313-P332+P313-P337+P313-P405-P501 |
Num. heavy atoms | 12 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.0 |
Num. rotatable bonds | 2 |
Num. H-bond acceptors | 4.0 |
Num. H-bond donors | 1.0 |
Molar Refractivity | 42.22 |
TPSA ? Topological Polar Surface Area: Calculated from |
83.12 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
0.88 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.89 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.29 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
0.51 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
-0.93 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
0.73 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.3 |
Solubility | 0.828 mg/ml ; 0.00496 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-3.26 |
Solubility | 0.0923 mg/ml ; 0.000552 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-1.15 |
Solubility | 12.0 mg/ml ; 0.0716 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
No |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
No |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-5.98 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.56 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
2.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.37 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃;Inert atmosphere; | To a solution of trans-2-(4-hydroxy-cyclohexyl)-isoindole-1,3-dione (3.8 g, 15.5 mmol), PPh3 (6.5 g, 24.8 mmol), and 4-nitrobenzoic acid (4.1 g, 24.8 mmol) in 150 mL of THF was added dropwise DIAD (4.9 mL, 24.8 mmol) at room temperature. The reaction mixture was stirred overnight. The solvent was evaporated, and the resulting solid was recrystallized from methanol to afford 5.3 g (87%) of the title compound as a white solid. 1H NMR (CDCl3): δ 8.40-8.36 (m, 4H), 7.79 (ddd, J = 0.12, 0.02, and 0.02 Hz, 4H), 5.39 (s, 1H), 4.37-4.22 (m, 1H), 2.82-2.65 (m, 2H), 2.27-2.16 (m, 2H), 1.84-1.65 (m, 4H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | In water; | EXAMPLE 5 Preparation of (S)-3-Chloro-1,2-propanediol with (S,S)-Co(salen): To a 3-necked, 250-mL, round-bottomed flask fitted with a vacuum adapter, an air inlet, and a temperature probe was added (S,S)-Co(salen) (1.51 g, 0.0023 mol, 0.23 mol %), propylene glycol monomethyl ether (20 mL), and p-nitrobenzoic acid (0.835 g, 0.0049 mol, 0.49 mol %). A slight vacuum was applied to pull air into the reaction medium, and the reaction was allowed to stir for 1 h. The air inlet was removed, and epichlorohydrin (92.52 g, 78.40 mL, 1.00 mol) was charged after the reaction vessel was purged with nitrogen. The reaction was cooled to 0 C., and water (8.1 g, 8.1 mL, 0.45 mol, 45 mol %) was slowly added, maintaining the reaction temperature below 5 C. The reaction was allowed to stir at room temperature for 16 h. When determined to be complete, the reaction was partitioned between toluene (80 mL) and water (80 mL). The aqueous layer was collected and washed with toluene (80 mL) to remove unreacted epichlorohydrin (isopropyl alcohol (20%) was added to facilitate the phase separation). After concentration of aqueous layer, the residue was vacuum distilled to give (S)-3-chloro-1,2-propanediol (37.4 g, 76% yield, >99% purity, 97% ee; b.p. 115-120 C. a 10 mm Hg). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | 16.7 g (0.1 mol) of 4-nitrobenzoic acid are heated to reflux in 50 ml of thionyl chloride and 3 drops of dimethylformamide for 1 hour. After removing the solvent by distillation in vacuo, it was dissolved in 150 ml of tetrahydrofuran and added dropwise to a mixture of 18 g (0.1 mol) of N- (2-methoxycarbonylethyl) -aniline, 250 ml of tetrahydrofuran and 42 ml Solution. After stirring for 1 hour at room temperature, the reaction mixture was diluted with 250 ml of ethyl acetate and washed twice with 200 ml of 14% saline solution. The solvent was distilled off and purified by silica gel column chromatography to give 4-nitro-benzoic acid N-phenyl-N- (2-methoxycarbonylethyl) amide (27.68, yield 85% And the value: 0.37 (silica gel, dichloromethane / methanol = 50: 1). Mass spectrometry 31 -] ^): (] 1 + 10 + = 329.1, (M + H + Na) ++ = 352.1, Ci7Hi6N25 (328) | |
In tetrahydrofuran; N-methyl-acetamide; thionyl chloride; ethyl acetate; | a 4-Nitro-benzoic acid-N-phenyl-N-(2-methoxycarbonylethyl)amide 16.7 g (0.1 mol) of 4-nitrobenzoic acid were refluxed in 50 ml of thionyl chloride and 3 drops of dimethylformamide for 1 hour. After the solvent had been distilled off in vacuo the crude product was dissolved in 150 ml of tetrahydrofuran and added dropwise to a solution of 18 g (0.1 mol) of N-(2-methoxycarbonylethyl)aniline in 250 ml of tetrahydrofuran and 42 ml 0.3 mol) of triethylamine. After being stirred for one hour at ambient temperature the reaction mixture was diluted with 250 ml of ethyl acetate and washed 2* with 200 ml of 14% saline solution. After the solvent had been distilled off and the residue chromatographed (silica gel; methylene chloride) a yellow oil was obtained which slowly solidified. Yield: 32.6 g (100% of theory), Rf value: 0.37 (silica gel; methylene chloride/methanol=50:1) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃; | To a solution of trans-2-(4-Hydroxy-cyclohexyl)-isoindole-l,3-dione (38 g, 154.9 mmol), triphenylphosphine(65 g, 248 mmol), and 4-nitrobenzoic acid (41.4 g, 248 mmol) in 1500 mL of THF was added dropwise diisopropyl azodicarboxylate (50.1 g, 248 mmol) at room temperature. The reaction mixture was stirred overnight. The solvent was evaporated, and the resulting solid was recrystallized from methanol. Yield: 53 g (86.7% of theory). 1H NMR (300 MHz, CDCl3): δ 8.40-8.36 (m, 4H), 7.79 (ddd, J = 0.12, 0.02, and 0.02 Hz, 4H), 5.39 (s, IH), 4.37-4.22 (m, IH), 2.82-2.65 (m, 2H), 2.27-2.16 (m, 2H), 1.84-1.65 (m, 4H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With titanium(IV) oxide; sodium hydroxide; at 70℃; | General procedure: In a 10 ml three-necked flask equipped with an electric stirrer, a thermometer, a condenser and a dropping funnel, 5 mL of deionized water and 3 g of chromic anhydride were mixed and homogenized. The flask was then immersed in an ice-water bath and cooled to 25 C, The pH was adjusted to 6.0 with a hydrochloric acid solution having a mass fraction of 30%. Then, 3 g of p-nitrotoluene and 10 mL of glacial acetic acid were added thereto, and the liquid was heated to the condenser by a beaker to keep the temperature for 30 minutes. After the above- Add 80 mL of deionized water to the beaker using a dropping funnel and adjust the dropping rate to drop it in 5 min and allow to stand until no yellowish precipitate is produced. Then, the filtrate is filtered under reduced pressure. The resulting extract was placed in a round bottom beaker and 40 mL of a 40% sodium hydroxide solution with a mass fraction of 40% was added and stirred until the filter was completely dissolved, and then the resulting filtrate was air- And then 70kg of titanium dioxide, mixed evenly, in the beaker with a round bottom beaker and add the rotor, then round bottom beaker moved to the magnetic stirring heater, the temperature is set to 70 C, the speed is set to 200r / min; After the solution in the beaker has been clarified, the heating is stopped and the mixture is naturally cooled to room temperature. The liquid in the beaker is poured into a conical flask to remove the titanium dioxide. The aqueous solution is then adjusted to a pH of 7.5 with a mass fraction of 20% The conical flask is then heated until it has a pale yellow precipitateThe resulting filter material was placed in a beaker, and 1.5 g of tin dioxide was added thereto, and the resulting filtrate was added to a beaker, and the mixture was filtered and the filtrate was collected under reduced pressure. Uniform, and then use the mass fraction of 30% sulfuric acid solution soak the mixture, and then the beaker heating, heated to a temperature of 85 C, keep the temperature 2h, the hot filter, collecting the filtrate, 4-aminobenzoate; The resulting filtrate was mixed with 10 g of sodium carbonate and 30 mL of absolute ethanol, poured into a round bottom flask, and then 15 mL of hydrogen bromide was poured into it, and the vessel was transferred to a water bath. After the temperature was set to 60 C and the temperature was maintained for 70 min, the round bottom flask was charged with a distillation unit, and the round bottom flask was heated to collect 135 C fraction and cooled to room temperature to give (2 - ((4-aminobenzene Formyl) oxy) ethyl) in a yield of 47.8%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20℃; | To a solution of tert-butyl (lS,2S)-2-hydroxycyclohexylcarbamate(1.30 g, 6.04 mmol), 4-nitrobenzoic acid (1.11 g, 6.64 mmol), triphenylphosphine (1.74 g, 6.64 mmol) in THF (30 mL) was added diethylazo dicarboxylate (1.05 ml, 6.64 mmol) and the resulting solution was stirred at ambient temperature overnight. The reaction mixture was diluted with ethyl acetate and washed with brine. The organic layer was dried and concentrated to give an orange oil that was purified by column chromatography (hexanes/ethyl acetate, 8: 1) to give (lR,2S)-2-(tert-butoxycarbonylamino)cyclohexyl 4- nitrobenzoate (1.95 g, 89%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃; | (R)-(+)-3-Hydroxy-2-pyrrolidinoneTo a stirring mixture of 4-Nitrobenzoic acid (21.5 g) and (S)-(-)-3-hydroxy-2-pyrrolidinone (11.8 g) (Intermediate 17) in dry THF (360 mL) taken in a round bottomed flask fitted with anhydrous CaCl2 guard tube, triphenyl phosphine (61.2 g) was added.To this reaction mixture, diisopropyl diazodicarboxylate (DIAD) (34 mL) was added drop wise in three portions at room temperature.The reaction was stirred at room temperature.The progress of the reaction was monitored by TLC (developing agents: UV, I2, as well as aqueous acidic KMnO4).After completion, reaction mixture was concentrated under vacuum to obtain residue.Methanol (360 mL) was added to the residue followed by potassium carbonate (10 g) at room temperature.The reaction was stirred at room temperature.The progress of the reaction was monitored by TLC (developing agents: UV, I2, as well as aqueous acidic KMnO4).After completion, reaction mixture was diluted with CHCl3 and filtered through celite.Celite bed was successively washed with 1percent MeOH:CHCl3.The filtrates were combined and concentrated to dryness to remove solvents.The residues were partitioned between EtOAc: dil. HCl (200 mL, 9:1) and stirred for 15 min.Layers were separated, aq.layer was washed with EtOAc thrice until all organic impurities were washed out.The aq.Layer was concentrated to dryness to remove the water and solid residues were obtained.The residues obtained were washed with 1-2percent MeOH: CHCl3 (3*100 mL), dried over sodium sulfate, filtered trough cotton, concentrated to get brown thick liquid product.1H NMR (CDCl3, 400 MHz) delta ppm: 2.03-2.13 (m, 1H), 2.46-2.54 (m, 1H), 3.28-3.35 (m, 1H), 3.38-3.48 (m, 1H), 4.50 (t, J=8.4 Hz, 1H), 4.55 (bs, 1H), 7.02 (bs, 1H); [alpha]D25: +68, c=1, CHCl3 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93%; 5% | With Oxone; In water; acetonitrile; at 20℃; for 5.5h; | General procedure: To 16 mL of acetonitrile/water (1:1 v/v) mixture was added 0.5-1.2 mmol of the starting compound. The contents were heated at reflux with introduction of oxone (cf. entries for each case) incrementally over the entire duration of the reaction. For secondary benzyl halides, the reactions were run at room temperature. The progress of the reaction in each case was monitored by TLC analysis. After completion of the reaction, the reaction mixture was cooled to room temperature and the organic matter was extracted with ethyl acetate. The combined organic extract was dried over anhyd Na2SO4 and concentrated in vacuo. Short pad silica gel column chromatography of the residue led to isolation of the pure product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
18.1% | With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; toluene; at 4 - 22℃; for 12h; | To a two neck flask was added glaterone (1, 2 g, 5.15 mmol), 0.95 g (5.66 mmol) of pnitrobenzoicacid, 1.5 g (5.66 mmol) of PPh3 and 30 mL anhydrous THF. The mixture was stirred until all solids dissolved and then cooled to 4°C in an ice-water bath. A solution of 40percent> DEAD 2.46 rnL (5.66 mmol) in anhydrous toluene was added drop wise, allowed to attain room temperature, stirred for 12 hours. The reaction mixture concentrated in vacuo and the resulting sticky residue was suspended in 5 rnL of ethyl acetate, stirred, cooled and filtered. Mother liquor collected, stirred vigorously and 30 mL of petroleum ether added slowly. Resulting sticky suspension filtered, washed with 10percent ethyl acetate in petroleum ether (25 rnL) and dried under vacuo. The sticky solid made slurry on Buckner funnel with ether (7.5 mL x 2), filtered and dried under vacuo. Free solids (0.8 g) obtained was a mixture of product 11, traces of tripheylphosphinoxide and diethyl 1,2-hydrazinedicarboxylate. The crude product dissolved in hot IPA, allowed to cool to room temperature, resulting precipitate filtered and dried under vacuo to obtain a white solid (0.5 g, 18.1percent) of pure 11, mp 193- 194°C; Rf= 0.4 (3percent acetone in DCM); FontWeight="Bold" FontSize="10" H NMR (400 MHz, CDC13) delta 1.05 (s, 3 H, 18-CH3), |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
25% | With ferrous(II) sulfate heptahydrate; sulfuric acid; boric acid; In glycerol; at 140℃; for 42h;Inert atmosphere; | To a mixture of <strong>[6311-37-1]4-amino-3-bromobenzoic acid</strong> (500 mg, 2.31 mmol) in concentrated sulfuric acid (650 muL) was added glycerol (1.75 g, 19.0 mmol), 4-nitrobenzoic acid (391 mg, 2.34 mmol), boric acid (215 mg, 3.48 mmol) and iron(II) sulfate heptahydrate (234 mg, 0.842 mmol), and the reaction was stirred at 140 C. for 42 h. The reaction mixture was cooled to room temperature and the pH was adjusted to 10 with 10% sodium hydroxide. The aqueous layer was extracted with ethyl acetate (2*100 mL) and the combined organic layers were dried over sodium sulfate, filtered and evaporated to give the title compound (150 mg, 25% yield) as a 10 yellow powder. MS (ESI): mass calcd. for C10H6 BrNO2, 251.0; m/z found, 252.0 [M+H]+. |
Tags: 62-23-7 synthesis path| 62-23-7 SDS| 62-23-7 COA| 62-23-7 purity| 62-23-7 application| 62-23-7 NMR| 62-23-7 COA| 62-23-7 structure
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P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
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