Structure of 109-54-6
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Lastowski, R Joseph ; Flores, Vincent J ; Souqui, Laurent ; Abelson, John R ; Girolami, Gregory S ;
Abstract: We describe the synthesis and characterization of three new square-planar compounds of stoichiometry M-[(CH2)3NMe2]2, where M = Ni, Pd, or Pt, each of which contains two chelating 3-dimethylamino-1-propyl ligands. The nickel(II) and palladium(II) compounds decompose above -78 and 0 °C, respectively, but the platinum(II) compound has a thermolysis onset temperature of 130 °C. The Pd and Pt complexes are dynamic in solution: they undergo ring inversion with small free energies of activation of ΔG⧧ = 7.9 ± 0.1 and 8.3 ± 0.1 kcal mol-1, respectively, at 298 K. The Pt complex sublimes at 40 °C and 5 mTorr. In benzene solution, the Pt compound thermolyzes primarily through β-hydrogen elimination; 80 ± 10% of the hydrogen atoms and 75 ± 5% of the carbon atoms from the precursor can be accounted for in the byproducts. The thermolysis of the Pt complex in C6D6 follows first-order kinetics, with an activation free energy ΔG⧧ of 29.9 ± 0.1 kcal mol−1 at 110 °C. Under CVD conditions, thin films grown of the Pt complex at 200 °C contain nanocrystalline Pt; analysis of the film growth byproducts suggest that the main decomposition pathway involves β-hydrogen elimination and reductive elimination steps, as seen in solution.
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CAS No. : | 109-54-6 |
Formula : | C5H12ClN |
M.W : | 121.61 |
SMILES Code : | CN(C)CCCCl |
MDL No. : | MFCD00044496 |
InChI Key : | NYYRRBOMNHUCLB-UHFFFAOYSA-N |
Pubchem ID : | 66960 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H317-H319 |
Precautionary Statements: | P422-P411-P280-P305+P351+P338 |
Num. heavy atoms | 7 |
Num. arom. heavy atoms | 0 |
Fraction Csp3 | 1.0 |
Num. rotatable bonds | 3 |
Num. H-bond acceptors | 1.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 33.84 |
TPSA ? Topological Polar Surface Area: Calculated from |
3.24 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
2.04 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.21 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.18 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.53 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
0.87 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.37 |
Log S (ESOL):? ESOL: Topological method implemented from |
-1.16 |
Solubility | 8.45 mg/ml ; 0.0695 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (Ali)? Ali: Topological method implemented from |
-0.87 |
Solubility | 16.2 mg/ml ; 0.133 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-1.77 |
Solubility | 2.05 mg/ml ; 0.0168 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
Low |
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 |
-6.18 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 |
2.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
1.0 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) |
1.34 |
* 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 |
---|---|---|
76.9% | Stage #1: With iodine; magnesium In 2-methyltetrahydrofuran at 60℃; for 4.83333 h; Inert atmosphere Stage #2: at -20℃; for 17.6167 h; Inert atmosphere Stage #3: With hydrogen bromide In 2-methyltetrahydrofuran at 3℃; for 1 h; |
Example 3 Preparation of N,N-dimethyl-3-chloromagnesiopropylamine Grignard reagent 2-methyl tetrahydrofuran as solvent: Reaction process: At room temperature, Mg (7.28 g, 300 mmol) and iodine granules (0.506 g, 2 mmol) were suspended in anhydrous 2-methyltetrahydrofuran (80 mL, moisture content: 0.016percent), the reaction mixture was purged with nitrogen for 6 times. The reaction mixture was heated to 60 deg. C and stirred for 15min, the mixture was orange-red. 3-chloro-N, N-dimethylpropylamine (CPA) (24.32 g, 200 mmol) was dissolved in anhydrous 2-methyltetrahydrofuran (120 mL) was added dropwise to the above reaction mixture, reaction liquid from milky white to gray-green, 110min dropwise additon was finished, reaction at 60 ° C for 3 h, the solution of N,N-dimethyl-3-chloromagnesiopropylamine Grignard reagent in 2-methyltetrahydrofuran was cooled to room temperature and was directly used in the next reaction. Example 4 Preparation of 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide 2-methyl tetrahydrofuran as solvent: Reaction process: To a solution of the Grignard reagent of formula (III) (200 mL, 200 mmol) in anhydrous 2-methyltetrahydrofuran (541 mL) was added dropwise a solution of 2-methyltetrahydrofuran (541 mL) of formula (II) (54.30 g, 151.50 mmol), the solution was added dropwise over 97 min and the reaction mixture was stirred at -20 ° C for 16 h under nitrogen. Reaction post-treatment: Samples were quenched with saturated NH4Cl solution, and 2-methyltetrahydrofuran was analyzed by HPLC. The reaction mixture was allowed to warm to 0 ° C, and a saturated NH4Cl solution (120 mL) was added dropwise to the reaction mixture to quench the reaction mixture. The temperature of the reaction solution was maintained at 10 ° C or less, the white viscous solid was removed by suction filtration, the filtrate was cooled to 3 ° C and hydrogen bromide (30.30 g, 48percent, 179.70 mmol) was added dropwise to the filtrate, the reaction mixture was stirred at 3 ° C for 1 hour. The filtrate was concentrated under reduced pressure to remove 2-methyltetrahydrofuran. The reaction mixture was stirred at room temperature with CH2Cl2 (500 mL) and H2O (250 mL). The reaction mixture was cooled to room temperature, was added to the mixture, a white solid precipitated from the mixture, the reaction mixture was stirred at 15 ° C for 6 h, filtered, the white filter cake was washed with CH2Cl2 (3 x 80 mL) and dried in vacuo at 60 ° C for 16 h to give a white solid (49.33 g, yield: 76.9percent, based on 5-cyanophthalocyanine). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75.8% | With iodine; magnesium; In benzene; for 3.25 - 4.33333h;Heating / reflux; | Into a 2L four-necked round bottom flask was charged magnesium turnings (25gr) under nitrogen atmosphere. Benzene [(50ML),] the above benzene solution [(50ML),] triethyl orthoformate (20gr), and a small crystal of iodine were added to the reaction flask and slowly heated to reflux temperature. Within 15-20min of refluxing period, a vigorous reaction took place indicating the initiation of Grignard reaction. Remaining quantity of benzene solution and triethyl orthoformate of the [FORMULA-XVII] where [R3 = R5] = Et (174gr) were separately taken into two addition funnels and slowly added in 3-4hrs period to the reaction mixture under reflux temperature. The reaction mass was cooled to [25C] and filtered through celite pad. The cake was washed with benzene [(100ML).] Benzene was removed from the reaction mass using 20cm Vigroux column at atmospheric pressure. The residue was distilled under mild vaccum keeping mass temperature below [100C] to get the excess triethyl orthoformate (60gr). Finally, [4- (N,] N- dimethylamino)-butyraldehyde diethyl acetal was distilled under vaccum to get 125gr (75.8%) as colourless liquid. B. p.: [140-150C/15-20MM.] |
72.8% | With iodine; magnesium; In cyclohexane; for 5.25 - 6.33333h;Heating / reflux; | Into a 2L four-necked round bottom flask was charged magnesium turnings (25gr), cyclohexane [(50ML),] the above cyclohexane solution [(50ML),] triethyl orthoformate (20gr), and a small crystal of iodine were added into the flask and heated to reflux temperature. Within [15-20MIN] of reflux, vigorous reaction took place indicating the initiation of Grignard reaction. Remaining quantity of the cyclohexane solution [(600ML)] and triethyl orthoformate of the [FORMULA-XVII] where R3 = [R5] = Et (175gr) were taken into two separate addition funnels and added to the reaction mass at reflux temperature over a period of [3-4] hrs. After the addition, the reaction mass was maintained at reflux for another 2hrs and cooled to [25C.] The reaction mass was filtered over a celite pad and washed the cake with 100ml of cyclohexane. Cyclohexane was removed from the reaction mass by ordinary distillation keeping a 20cm vigroux column. Excess triethyl orthoformate was distilled under mild vaccum keeping the mass below [80C.] Finally, the residue was distilled under vaccum to afford 120gr (72.8%) of 4- (N, N- dimethylamino) butyraldehyde diethyl acetal as a colorless liquid. |
With magnesium; In cyclohexane; at 65 - 70℃; for 6h; | 100GMS (0. 66MOL) of chloro bromo propane was taken in 100ML of cyclohexane and 125gms of 42% caustic soda lye was added at 20-25C. The mass was stirred for 60min at 25-30 C and LOOGMS of 40% DIMETHYLAMINE was added. The mass was stirred for 24 hours at 25-30 C and 200ML of cyclohexane was added. The organic layer was separated and dried with sodium sulfate. The organic layer was used for next stage without ISOLATION/PURIFICATION. 20 gms of magnesium turnings was taken the flask and 80ML of TRIETHYLORTHO formate was taken in a well-dried flask which was equipped with an addition funnel, thermometer socket and reflux condenser. The reaction mass was heated to 65-70C and the above organic layer was added in 4 hours. The reaction mixture was stirred for 2 hours at G5-70 C and cooled to 25-30C, The mass was filtered and filtrate was stripped off solvent under reduced pressure. The product was distilled under 1 OMM/HG at 135-140 C to get 30gms of the >94% PURE (GC) 4, 4-DIMETHYLAMINO butyraldehyde dimethyl acetal, which can be used straight away for the next stage |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With ammonium acetate; potassium hydroxide; sodium hydrogencarbonate; potassium carbonate; In methanol; ethanol; water; acetone; toluene; | EXAMPLE 2 2-(1H-Indol-3-yl)-3-[1-(3-dimethylaminopropyl)-1H-indol-3-yl]-maleinimide 0.20 g (0,44 mmol) 2-(1H-indol-3-yl)-3-[1-(3-dimethylaminopropyl)-1H-indol-3-yl]-maleic acid anhydride hydrochloride and 10 g ammonium acetate are heated to 140 C. for 30 minutes. After cooling, the reaction mixture is mixed with water and extracted with ethyl acetate. The organic phase is well washed out with an aqueous solution of sodium bicarbonate and thereafter with water and dried over anhydrous sodium sulphate. The ethyl acetate is removed by rotary evaporation, the red residue obtained is stirred with a little water and the precipitated red product is filtered off with suction. After drying in a vacuum at 0.1 Torr and 140 C., there is obtained 0.156 g (91% of theory) of red product; m.p. about 280 C. (decomp.); RF=0.16 (chloroform/methanol 10:2 v.v). The 2-(1H-indol-3-yl)-3-[1-(3-dimethylaminopropyl)-1H-indol-3-yl]-maleic acid anhydride used as starting material is prepared as follows: 0.5 g (0.95 mmol) 2-(1-tert.-butoxycarbonyl-1H-indol-3-yl)-3-[1-(3-dimethylaminopropyl)-1H-indol-3-yl)-N-methylmaleinimide and 50 ml of a 10% solution of potassium hydroxide in methanol/water (1:1 v/v) are heated under reflux for 30 minutes. After cooling, the reaction mixture is carefully acidified with concentrated hydrochloric acid and extracted with chloroform. The organic phase is washed out with water and evaporated to dryness. The red residue is triturated with a little methanol/toluene, filtered off with suction and dried at 80 C. There are obtained 0.34 g (79.5% of theory) of a dark red product; m.p. 232-234 C. (decomp.). The 2-(1-tert. -butoxycarbonyl-1H-indol-3-yl)-3-[1-(3-dimethylaminopropyl)-1H-indol-3-yl]-N-methylmaleinimide used as starting material is prepared as follows: A mixture of 0.9 g (2.03 mmol) 2-(1-tert.-butoxycarbonyl-1H-indol-3-yl)-3-(1H-indol-3-yl)-N-methylmaleinimide (Tetrahedron, 44, 2887/1988), 0,3 g potassium carbonate and 0.3 g (2.4 mmol) 3-dimethylaminopropyl chloride in 10 ml acetone is stirred for 12 hours at ambient temperature and for 8 hours under reflux. After cooling, the reaction mixture is poured into water and extracted with ethyl acetate. The red extract is evaporated and the residue flash chromatographed on silica gel (Merck Type 7734) using, as elution agent, a mixture of toluene/ethanol (10+1.5 v/v). The desired product is obtained in the form of a red oil and used as such in the above reaction. Yield 0.8 g (74% of theory); RF=0,20 (toluene/ethanol 1:2 v/v). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72.7% | Into a 2L three-necked round bottom flask was added magnesium turnings (25gr) under nitrogen atmosphere and [50ML] of the above benzene solution added to the reaction flask. After adding a small crystal of iodine, reaction mass was heated to reflux temperature. After maintaining for 15 min, reaction got initiated and to the reaction mass remaining quantity of benzene solution was added slowly in 2-3hrs period. After the addition, reaction mass was maintained for lhr and a solution of phenyl diethyl orthoformate (171gr) in benzene [(200ML)] was added slowly over a period of lhr. After maintaining for 2hrs, reaction was cooled to [25C] and filtered on a celite pad. Solvent was removed from the reaction mass and the residue fractionally distilled to get 120gr (72.7%) [OF 4- (N,] N- dimethylamino) butyraldehyde diethyl acetal. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Example 14: Preparation of (Z)-ll-[3-(dimehylamino)propylidene]-6,ll- dihydrodibenz[b,e] oxepin-2-acetic acid hydrochlorideIodine (0.5 g) was added to a mixture of magnesium (43 g) and tetrahydrofuran (150 ml) under nitrogen condition. Heated the reaction mixture to reflux temperature. 3- dimethyl amino propyl chloride (5 ml) followed by 1,2-dibromo ethane (2 g) were added to the reaction mixture at same reflux temperature. A solution of 3 -dimethyl amino propyl chloride (225 g) in tetrahydrofuran (200 ml) was added drop wise to the reaction mixture at reflux temperature and stirred for 1 hour at the same temperature. Cooled the reaction mixture to 25-30°C, further cooled to 5-10°C. A solution of l l-oxo-6,11- dihydrobenz[b,e]oxepin-2-acetic acid (50 g) in tetrahydrofuran (150 ml) was added to the reaction mixture slowly at 5-10°C and stirred for 45 minutes at 5-10°C. Raised the temperature of the reaction mixture to 25-30°C and stirred the reaction mixture for 5 hours at same temperature. After completion of the reaction, the reaction mixture was quenched with aqueous acetic acid. Aqueous hydrochloric acid [hydrochloric acid (300 ml) in water (100 ml)] was added to the reaction mixture at a temperature below 25 °C and stirred for 10 minutes at 25-30°C. Toluene was added to the reaction mixture and stirred for 10 minutes. Both the toluene and aqueous layers were separated and the aqueous layer was washed with toluene. Both the toluene layers were combined and washed with hydrochloric acid. Both the aqueous layer and hydrochloric acid layers were combined. Heated the aqueous layer to 90-95 °C and stirred for 24 hours at same temperature Cooled the reaction mixture to 25-30°C and dichloromethane was added to the reaction mixture. Stirred the reaction mixture for 15 minutes at 25-30°C. Both the organic and aqueous layers were separated and the aqueous layer was extracted with dichloromethane. Both the dichloromethane layers were combined and then dried with sodium sulfate. Distilled off the solvent completely under reduced pressure and co- distilled with acetone. Acetone was added to the reaction mixture and stirred for 45 minutes at 25-30°C. Filtered the precipitated solid, washed with acetone and then dried to get the title compound.Yield: 30 grams; Purity by HPLC: 98.9percent (Z-isomer) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
26%; 26% | To the compound L (1 g, 6.8 mmol) dissolved in acetonitrile (30 mL) was added potassium carbonate (4.6 g, 34 mmol). The resulting solution was refluxed for 0.5 h and to hot solution was added 3-chloro-N,N-dimethylpropan-1-amine (3.1 g, 22 mmol). The reaction mixture was then stirred at reflux temperature for a further 24 h. After cooling,the solvent was removed under reduced pressure to afford a white precipitate, which was purified by column chromatography on silica gel (ethyl acetate:hexane by the ratio of 20:80) to give isomers L1 and L3. L2: White brown solid (0.55 g, yield 26 %). m.p. 72-76 C.Anal. calcd. for C11H16N6 (232.28): C, 56.88; H, 6.94; N, 36.18;1H NMR (CDCl3, 300 MHz): delta 8.71 (d, 1H, J = 4.5 Hz, pyr-H), 8.37 (d, 1H, J = 8.1 Hz, pyr-H), 7.91 (dt, 1H, J = 7.8, 1.8Hz, pyr-H), 7.45 (dd, 1H, J = 7.5, 5.1 Hz, pyr-H), 5.12 (t, 2H,J = 6.9 Hz, CH2N), 2.88 (t, 2H, J = 6.9 Hz, CH2), 2.42(p, 2H,J = 6.9 Hz, CH2), 2.29 (s, 6H, N(CH3)2) ppm. 13C NMR (CDCl3,60 MHz): delta 150.45 (CN4), 148.53, 144.66, 137.16, 123.15,122.24, 48.24 (CH2N4), 43.56 (CH2N-(CH3)2), 26.82, ppm. L4: White brown solid (0.55 g, yield 26 %). m.p. 66-68 C.Anal. calcd. for C11H16N6 (232.28): C, 56.88; H, 6.94; N, 36.18;1H NMR (CDCl3, 300 MHz): delta 8.65 (d, 1H, J = 4.5 Hz, pyr-H), 8.28 (d, 1H, J = 8.1 Hz, pyr-H), 7.87 (dt, 1H, J = 7.8, 1.8Hz, pyr-H), 7.34 (t, 1H, J = 7.5, 5.1 Hz, pyr-H), 5.06 (t, 2H,J = 6.9 Hz, CH2N), 2.82 (t, 2H, J = 6.9 Hz, CH2), 2.42(p, 2H,J = 6.9 Hz, CH2), 2.27 (s, 6H, N(CH3)2) ppm. 13C NMR (CDCl3,60 MHz): delta 151.35 (CN4), 149.44, 145.36, 138.08, 124.64,122.12, 49.54 (CH2N4), 44.34 (CH2N-(CH3)2), 26.82, ppm. |
Tags: 109-54-6 synthesis path| 109-54-6 SDS| 109-54-6 COA| 109-54-6 purity| 109-54-6 application| 109-54-6 NMR| 109-54-6 COA| 109-54-6 structure
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P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
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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