[ CAS No. 187164-19-8 ] {[proInfo.proName]}

Name: 187164-19-8|(R,E)-2-(4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile|98%
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SKU: A170757
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Quality Control of [ 187164-19-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 187164-19-8 ]

CAS No. :	187164-19-8	MDL No. :	MFCD00953915
Formula :	C₁₄H₉Cl₂N₃S₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YTAOBBFIOAEMLL-REQDGWNSSA-N
M.W :	354.28	Pubchem ID :	3003141
Synonyms :	NND 502	Chemical Name :	(R,E)-2-(4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile

Calculated chemistry of [ 187164-19-8 ]

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.14
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	90.36
TPSA :	92.21 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.83
Log Po/w (XLOGP3) :	3.97
Log Po/w (WLOGP) :	4.74
Log Po/w (MLOGP) :	2.47
Log Po/w (SILICOS-IT) :	3.78
Consensus Log Po/w :	3.56

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.79
Solubility :	0.0057 mg/ml ; 0.0000161 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.61
Solubility :	0.000875 mg/ml ; 0.00000247 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.05
Solubility :	0.00313 mg/ml ; 0.00000883 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.65

Safety of [ 187164-19-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 187164-19-8 ]

* 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.

Downstream synthetic route of [ 187164-19-8 ]

[ 187164-19-8 ] Synthesis Path-Downstream 1~10

1
[ 104-15-4 ]
[ 187164-19-8 ]
[ 1938054-82-0 ]

Yield	Reaction Conditions	Operation in experiment
89%	In dichloromethane for 2.5h; Reflux;	5 Example 5 Specific preparation methods are as follows:Taking said compound of formula (E) - (4R) -4- (2,4- dichlorophenyl) -1,3-dithiolane-2-alkylene-substituted (lH-imidazol-1-substituted) acetonitrile 1mol was dissolved in a methylene chloride solvent, and then adding 1.05mol corresponding p-toluenesulfonic acid, and then, the reaction system was controlled at reflux for 2.5 hours. after completion of the reaction, stirring was continued at room temperature so that cooling to conditions sufficient to precipitate the corresponding the solid product was filtered and dried to give a solid corresponding intermediate compound of formula -5 (E) - (4R) -4- (2,4- dichlorophenyl) -1,3-dithiolane -2 - sub-substituted (1H- imidazol-1-substituted) acetonitrile toluenesulfonate molar yield of 89% and purity of 99.7%

Reference： [1]Current Patent Assignee: ZHEJIANG EAST ASIA PHARMACEUTICALS CO LTD - CN105541813, 2016, A Location in patent: Paragraph 0066; 0067; 0068; 0069; 0070; 0071; 0072; 0073

2
[ 1924632-09-6 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
90%	With water; sodium carbonate at 20℃;	9 Example 9 Weigh obtained in Example 1 (E) - (4R) -4- (2,4- dichlorophenyl) -1,3-dithiolane-2-alkylene-substituted (lH-imidazol-1-substituted) acetonitrile hydrobromide 1mol added to the water, stirring to fully dissolve, then, saturated sodium carbonate solution was slowly added dropwise and the reaction was conducted at room temperature, to remove the acid pH of the system, i.e. the system adjusted to neutral and stirred after 20 minutes, the system was maintained at a neutral pH value,then,Make full precipitated solids,Luliconazole give the final product, the molar yield of product was 90%, a purity of 99.8% can be reached.

Reference： [1]Current Patent Assignee: ZHEJIANG EAST ASIA PHARMACEUTICALS CO LTD - CN105541813, 2016, A Location in patent: Paragraph 0098; 0099

3
[ 1938054-82-0 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
91%	With water; sodium hydroxide at 40℃; for 0.333333h;	11 Example 11 Weigh obtained in Example 5 (E) - (4R) -4- (2,4- dichlorophenyl) -1,3-disulfideDioxolan-2-substituted (lH-imidazol-1-substituted) p-toluenesulfonate 1mol acetonitrile was added waterStir to dissolve sufficiently, then, controlling the temperature at 40 following condition slowlyDropping concentration of 10% sodium hydroxide solution and the reaction to remove systemAfter the acid pH of the system that is adjusted to neutral, stirred for 20 minutes so that the pHValue is maintained at a neutral, then, to effect sufficient to precipitate a solid, luliconazole give the final product,Molar yield of product was 91%, the purity of 99.6% can be achieved.

Reference： [1]Current Patent Assignee: ZHEJIANG EAST ASIA PHARMACEUTICALS CO LTD - CN105541813, 2016, A Location in patent: Paragraph 0102; 0103;

4
[ 75-15-0 ]
(1S)-1-(2,4-dichlorophenyl)ethyl 1,2-bismethanesulfonate [ No CAS ]
[ 98873-55-3 ]
luliconazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
5.1 g		10.9 g of potassium hydroxide was added to 200 ml of dimethylsulfoxide,A solution prepared by dissolving 7.5 g of <strong>[98873-55-3]1-cyanomethylimidazole</strong> and 5.2 g of carbon disulfide in 100 mL of dimethyl sulfoxide under cooling in a water bath was added dropwise thereto,And stirred at room temperature for 1 hour to prepare a dithiolate solution.Subsequently, under cooling in a water bath, the resultant dithiolate solution was added to 200 mL of dimethylsulfoxide, 26.1 g of the crude product (S) -1- (2,4-dichlorophenyl) -ethan-1,2-bismethanesulfonate Was added dropwise to the solution.After stirring at room temperature for 2 hours, the reaction mixture was poured into ice water and extracted with ethyl acetate. The organic layer was washed with water,After drying over anhydrous magnesium sulfate, the solvent was distilled off under reduced pressure.The residue was purified by silica gel column chromatography (ethyl acetate / hexane = 2/1).The resulting crystals were dissolved in ethyl acetate,Hexane mixed solvent to obtain 5.1 g (the yield: 21%) of the desired product.The purity of the product is 99.66%.

Reference： [1]Patent: KR2016/61542,2016,A .Location in patent: Paragraph 0042; 0043

5
[ CAS Unavailable ]
[ 187164-21-2 ]
[ 1240249-76-6 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
1: 1.05 g 2: 0.72 g	With lithium tert-butoxide In tetrahydrofuran at 0 - 30℃; for 1h;	6 Example 6: Preparation of a mixture of E and Z isomers of R-(-)-[4-(2,4-dichlorophenyl)- 1,3-dithiolan-2-ylidene]-1-imidazolylacetonitrile (mixture of geometrical isomers E and Z of compound of formula (1)). Example 6: Preparation of a mixture of E and Z isomers of R-(-)-[4-(2,4-dichlorophenyl)- 1,3-dithiolan-2-ylidene]-1-imidazolylacetonitrile (mixture of geometrical isomers E and Z of compound of formula (1)). 1.5 5g, (10.8 mmol) of 2-(1 H-imidazol-1-yl)acetonitrile hydrochloride were dissolved under nitrogen stream in 12.5ml_ of dry tetrahydrofuran. To the resulting solution, 0.975 mL (16.2 mmol) of carbon disulfide was added and the resulting solution was cool down to 0-5°C. Then 32.3 mL (32.3 mmol) of a 1 M solution of lithium tert-butoxyde in tetrahydrofuran was added dropwise and the reaction was stirred at room temperature for 90min. The resulting lithium 2- cyano-2-(1 H-imidazol-1-yl)ethene-1 , 1-bis(thiolate) solution was added dropwise to a solution of (S)-2-bromo-1-(2,4-dichlorophenyl)ethyl methanesulfonate (3a) (2.5 g, 7.2 mmol) in tetrahydrofuran (12.5 mL) maintaining the internal temperature below 30°C. One hour after stirring at room temperature water was added. The solvent was concentrated under vacuum and toluene was added. The aqueous phase was reextracted with toluene and the combined organic phases were washed water. The solvent was concentrated under vacuum and the resulting crude affording 1.05 g of Miconazole (41 % yield) and 0.72 g of the Z isomer (28 % yield). Purity (HPLC) > 99.7 % Enantiomeric purity by quiral HPLC> 99.85 % of the R isomer

Reference： [1]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2017/108972, 2017, A1 Location in patent: Page/Page column 39

6
[ 1938123-10-4 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
80%	With sodium hydrogencarbonate In water; ethyl acetate	4 Example 4: Preparation of R-(-)-(E)-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-1- imidazolylacetonitrile (luliconazole). Example 4: Preparation of R-(-)-(E)-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-1- imidazolylacetonitrile (luliconazole). 20.0 g (0.051 mol) of R-(-)-(E)-[4-(2,4-dichlorophenyl)-1 ,3-dithiolan-2-ylidene]-1 - imidazolylacetonitrile hydrochloride (2a) is suspended in ethyl acetate and treated with a 7.5 % w/w aqueous solution of NaHC03 to recover luliconazole as a free base form . Final luliconazole was obtained by refluxing the former solid in a mixture of ethyl acetate-methylcyclohexane (3: 1 ), filtering and oven drying. 14.5 g of pure luliconazole were achieved. (0307) Yield: 80 %. (0308) Purity (HPLC) > 99.7 % (0309) Stereoisomeric purity by quiral HPLO 99.85 % of the R isomer and < 0.15 % of Z-isomer PXRD peaks (2Θ values, (CuKa1 1 .54056 A)): 16.3, 18.2, 21 .3, 21 .8, 23.3, 24.4 and 25.7 ± 0.2. degrees two theta. (0310) PXRD peaks correspond to Figure 3

Reference： [1]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2017/108972, 2017, A1 Location in patent: Page/Page column 38

7
[ 229334-55-8 ]
[ CAS Unavailable ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium hydroxide In acetonitrile at -10 - 10℃; for 1h; Large scale;	4 Synthesis of Luliconazole Add 950 grams of (S)-2-chloro-1-(2,4-dichlorophenyl) ethyl methanesulfonate crystals into a 20-liter reaction flask, add 3 kg of acetonitrile, and stir until the solution is clear. The reaction system maintains an internal temperature of -10 to 10°C.The reaction solution in the 10-liter reaction flask in Example 3 was added to the above-mentioned 20-liter reaction flask, and the reaction system was kept at an internal temperature of -10 to 10°C, and stirred for 1.0 hour until the raw materials disappeared and the reaction was completed. The reaction solution was added to 10 liters of water to quench the reaction, and the temperature was controlled not to exceed 40°C.The reaction solution was extracted three times with ethyl acetate, and the organic phases were combined. The organic phase was washed once with saturated brine, dried over anhydrous sodium sulfate, and filtered to remove sodium sulfate. The organic phase was distilled to remove solvents such as ethyl acetate to obtain 1012 g of luliconazole oil with a yield of 91%. The HPLC test result of luliconazole oil is trans: cis = 73:27.

Reference： [1]Current Patent Assignee: SHANGHAI FULE PHARMACEUTICAL TECH - CN111875595, 2020, A Location in patent: Paragraph 0087-0091

8
[ 1924631-98-0 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
98 g	Stage #1: (Z/E)-(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene(1H-imidazol-1-yl)acetonitrile With hydrogen bromide In water at 60 - 65℃; Stage #2: With ammonium hydroxide In water; ethyl acetate	1; 2; 3; 4; 5; 6; 7 To a solution of (S)-2-chloro-l-(2,4-dichlorophenyl) ethyl methanesulfonate (100.0 g, 0.329 mol) was added a previously prepared solution of cyanomethyl imidazole (36.0 g, 0.336 mol)/powdered potassium hydroxide (38.0 g, 0.677 mol)/ carbon disulphide (25.0 g, 0.341 mol) in dimethyl sulfoxide (DMSO) at a temperature 15-20°C over a period of l-2hrs. The reaction mass was quenched into pre-chilled water upon completion of the reaction. Extracted the reaction mass with ethyl acetate and the corresponding ethyl acetate layer was treated with water. The ethyl acetate layer was dried and further treated with aqueous hydrobromic acid (70.0 ml) at 60-65°C for 4-5 hrs. The reaction mass temperature was cool to 20-25°C and stir for 2-3 hrs at 20-25 °C. Filter the solid and wash with ethyl acetate.To a suspension of wet solid in ethyl acetate was treated with aqueous ammonium hydroxide solution up to basic pH of 8-9, separated the ethyl acetate layer, the subjected ethyl acetate layer was further treated with water and followed by brine solution. The resultant solvent was distil off completely under vacuum and followed by crystallization with cyclohexane to isolate the Luliconazole as an off white solid (98. Og), Yield: 84.4%, HPLC purity=99.50% ( Z-isomer=0.1% ).IR (cm1): 3077, 2194, 1583, 1550, 1461 , 1302, 1 101, 1060, 1045, 820, 739, 657.'H-NMR (400 MHz, CDCh): 7.627 (s, 1H); 7.58-7.60 (d, IH); 7.48-7.49 (d, 1 H); 7.175 is. IH); 7.054 (s, IH); 5.67-5.71 (q, IH); 3.86-3.90 (m, IH); 3.63-3.68 (m, i l l).

Reference： [1]Current Patent Assignee: OPTIMUS DRUGS PVT - WO2021/19310, 2021, A1 Location in patent: Page/Page column 8-11

9
[ 229334-55-8 ]
[ CAS Unavailable ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
51.97%	In acetonitrile at -5 - 0℃; for 20h; Large scale;	1.1.2-1.1.3; 1.2.i-1.2.ii; 1.3.a-1.3.d; 2-18 After the reaction in the previous step, reduce the temperature in the kettle to -5-0°C, and slowly add (S)-2-chloro-1-(2,4-dichlorophenyl)ethyl methanesulfonate within this temperature range The acetonitrile solution of methanesulfonate (compound II) (from 58.9kg (S)-2-chloro-1-(2,4-dichlorophenyl)ethyl methanesulfonate (approximately 194 mol, CAS number: 229334) -55-8, molecular formula: C9H9Cl3O3S) Prepared by dissolving in 235.2kg of acetonitrile), the feeding rate is 28kg/h35kg/h, after the addition, continue to stir and react for 20h to obtain a reaction solution containing compound I (luliconazole);. Slowly add an appropriate amount of purified water (about 560kg in this example) to the reaction solution of the previous step, control the temperature of the system at -5°C to 0°C, stir, precipitate solids, filter, and dry (control moisture ≤2.0%) , 67.35 kg of crude luliconazole was obtained, which was a pale yellow or off-white solid, with a purity of 68.8% and an ee value of 97.50%. in,Purity refers to the mass percentage content of the target product in all output (including: target product, unreacted raw materials and other impurities).ee value, optical purity, refers to enantiomeric excess (enantiomeric excess), which means the excess of one enantiomer to another, usually expressed as a percentage. For definition and explanation, please refer to Chapter 3 of "Design of Drug Synthesis" Page 153 (Editor-in-Chief Zhang Wannian, Second Military Medical University Press, 2010 Edition).2. Production of Luliconazole HydrochlorideThe production method of luliconazole hydrochloride includes the following steps:i. Under the protection of inert gas (for example, nitrogen, etc.), add 67.35kg of crude luliconazole (obtained in the previous step, purity of 68.8%, equivalent to about 130.7mol containing luliconazole), 774.5kg of tetrahydrofuran and 40.5kg into the reactor Ethyl acetate, turn on the stirring, the stirring rate is 100r/min550r/min (250r/min is used in this embodiment), and the temperature in the kettle is controlled to 520 (considering energy saving and consumption reduction, this embodiment is preferably 10 20), pass 10.4kg (about 285mol) of hydrogen chloride gas into the above system, and the feed rate is 0.5kg/h5kg/h (this embodiment is preferably 1.0kg/h1.5kg/ h) After the addition, the temperature is increased, and the reaction is refluxed for 1h-2h to obtain a reaction solution containing luliconazole hydrochloride;ii. Slowly lower the temperature of the reaction solution obtained in the previous step to 25°C30°C, precipitate a solid, filter, and dry to obtain 49.20kg of luliconazole hydrochloride (E configuration), which is a pale yellow or off-white solid with a purity of 95.0%, the ee value is 96.3%.3. Production of luliconazole refined productsThe production method of luliconazole products includes the following steps:a. Under the protection of inert gas (for example, nitrogen, etc.), add 246kg purified water, 49.2kg luliconazole hydrochloride (approximately 126mol, obtained in the previous process), 295.2kg ethyl acetate, and 26.6kg carbonic acid into the reactor. Sodium (approximately 251mol), turn on the stirring, the stirring rate is 100r/min550r/min (250r/min is used in this example), and the stirring time is 20min60min (30min in this example), and then the temperature is slowly raised to 35°C 40, continue to stir and react for 20min60min (30min in this example) to obtain a reaction solution containing luliconazole;b. Let the reaction solution obtained in the previous step stand for 15 minutes, and then perform liquid separation, take the organic phase, extract the aqueous phase with ethyl acetate (148L×2), combine the organic phases, add anhydrous sodium sulfate to dry, filter, Add 7.5 kg of powdered activated carbon to the filtrate, then heat to reflux and stir for 1 hour, then cool to 25°C to 30°C, and filter to obtain a yellow to colorless transparent liquid;c. Perform vacuum distillation on the liquid obtained in step b above, and distill until there is no fraction to obtain a light yellow solid;d. Add 178kg methanol to the light yellow solid obtained in the above step c, heat to reflux, stir for 20min-60min (for example, 30min), slowly add purified water (approximately 89kg) under reflux, and then slowly lower the temperature to 2530, and precipitate The solid was filtered and dried to obtain 35.72 kg of luliconazole product, which was a white crystalline solid with a purity of 99.0% and an ee value of 99.5%;Based on (S)-2-chloro-1-(2,4-dichlorophenyl)ethyl methanesulfonate, the yield of luliconazole product was 51.97%.

Reference： [1]Current Patent Assignee: VIWIT PHARMACEUTICAL - CN113527277, 2021, A Location in patent: Paragraph 0118-0119; 0124-0160

10
[ 229334-55-8 ]
[ 98873-55-3 ]
[ 1240249-76-6 ]
[ 187164-19-8 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 1-cyanomethylimidazole With caesium carbonate; sodium hydroxide In water; dimethyl sulfoxide at 10 - 20℃; Stage #2: (S)-2-chloro-1-(2,4-dichlorophenyl)ethyl methanesulfonate In dimethyl sulfoxide at 10 - 20℃;	1 Preparation of Luliconazole Form E and Z Mixture Put imidazole-1-acetonitrile (2) (53.6g, 0.5mol), carbon disulfide (45.7g, 0.60mol), DMSO (600.0g) in a reaction flask, control the temperature of the system at 10-20°C, and slowly add 30% Sodium hydroxide aqueous solution (166.8g), after the dropwise addition, keep warm for 4 hours, take a sample and control it, and if the control is qualified, slowly add (S)-2-chloro-1-(2,4-dichlorophenyl)methanesulfonic acid A solution made of ethyl ester (7) (121.5g, 0.4mol) and DMSO (243.1g), the temperature is controlled at 10-20°C, the dropwise addition is completed, and the temperature is kept for 2h. After the central control is qualified, the drinking water (1000g) is added dropwise. , then extracted 3 times with ethyl acetate (500g/time), washed the organic layer with saturated brine, and distilled under reduced pressure to obtain about 135.5g of luliconazole E configuration and Z configuration mixture (E configuration and Z configuration The mass content of the mixture is about 94%), and the yield is 90.1%. The product is an orange-yellow viscous substance, wherein the Z-type isomer: 28.5%, and the E-type isomer: 65.8%.

Reference： [1]Current Patent Assignee: ZHEJIANG EAST ASIA PHARMACEUTICAL CO LTD - CN115433174, 2022, A Location in patent: Paragraph 0052-0055

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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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

[ CAS No. 187164-19-8 ] {[proInfo.proName]}

Quality Control of [ 187164-19-8 ]

Related Doc. of [ 187164-19-8 ]

Product Details of [ 187164-19-8 ]

Calculated chemistry of [ 187164-19-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 187164-19-8 ]

Application In Synthesis of [ 187164-19-8 ]

[ 187164-19-8 ] Synthesis Path-Downstream 1~10

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry