[ CAS No. 99171-11-6 ]

Name: 99171-11-6|5-(Methylthio)thiazol-2-amine|95%
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SKU: A736014
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Quality Control of [ 99171-11-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 99171-11-6 ]

SDS Specification

Alternatived Products of [ 99171-11-6 ]

Product Details of [ 99171-11-6 ]

CAS No. :	99171-11-6	MDL No. :	MFCD09943153
Formula :	C₄H₆N₂S₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KVLWIPGOGRZZEA-UHFFFAOYSA-N
M.W :	146.23	Pubchem ID :	351678
Synonyms :

Calculated chemistry of [ 99171-11-6 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.25
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.24
TPSA :	92.45 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.16 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.44
Log Po/w (XLOGP3) :	1.45
Log Po/w (WLOGP) :	1.46
Log Po/w (MLOGP) :	0.07
Log Po/w (SILICOS-IT) :	2.0
Consensus Log Po/w :	1.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.06
Solubility :	1.28 mg/ml ; 0.00878 mol/l
Class :	Soluble
Log S (Ali) :	-3.0
Solubility :	0.147 mg/ml ; 0.00101 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.41
Solubility :	5.68 mg/ml ; 0.0388 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.49

Safety of [ 99171-11-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H312-H332	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 99171-11-6 ]

* 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.

Upstream synthesis route of [ 99171-11-6 ]
Downstream synthetic route of [ 99171-11-6 ]

[ 99171-11-6 ] Synthesis Path-Upstream 1~6

1
[ 3034-22-8 ]
[ 5188-07-8 ]
[ 99171-11-6 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 12, p. 4119 - 4132
[2] Patent: WO2015/17305, 2015, A1, . Location in patent: Page/Page column 67

2
[ 61296-22-8 ]
[ 5188-07-8 ]
[ 99171-11-6 ]

Yield	Reaction Conditions	Operation in experiment
55%	at 20 - 50℃;	6.1 Synthesis of 5-(methylthio)-1,3-thiazol-2-amine (512) A solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (18.0 mL) was added to a suspension of 2-amino-5-bromothiazole monohydrobromide 505 (2.50 g, 14.0 mmol) in anhydrous ethanol (18.0 mL) over 5 minutes. The reaction became homogeneous. A second solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (12.0 mL) was added to the reaction. The reaction was warmed to 45° C. for 40 minutes then the heat was removed and the reaction was allowed to stir at room temperature overnight, when thin layer chromatography (1:1 EtOAc/Hexane) indicated most of the starting material consumed along with the formation of a new product. Additional sodium thiomethoxide (0.20 g, 2.85 mmol) was added to the reaction and the reaction was re-warmed to 50° C. After heating for 2 hours, the reaction was cooled to room temperature and concentrated in vacuo. The residue was dissolved in dichloromethane and washed three times with water, once with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to give 512 (1.12 g, 55percent) as an orange solid. Data for 512: ¹H-NMR (400 MHz, DMSO-d₆) δ 7.20 (s, 2 H), 6.97 (s, 1 H), 2.29 (s, 3 H) ppm.
55%	at 20 - 50℃; for 2.75 h;	A solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (18.0 mL) was added to a suspension of 2-amino-5-bromothiazole monohydrobromide 505 (2.50 g, 14.0 mmol) in anhydrous ethanol (18.0 mL) over 5 minutes. The reaction became homogeneous. A second solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (12.0 mL) was added to the reaction. The reaction was warmed to 45° C. for 40 minutes then the heat was removed and the reaction was allowed to stir at room temperature overnight, when thin layer chromatography (1:1 EtOAc/Hexane) indicated most of the starting material consumed along with the formation of a new product. Additional sodium thiomethoxide (0.20 g, 2.85 mmol) was added to the reaction and the reaction was re-warmed to 50° C. After heating for 2 hours, the reaction was cooled to room temperature and concentrated in vacuo. The residue was dissolved in dichloromethane and washed three times with water, once with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to give 514 (1.12 g, 55percent) as an orange solid. Data for 514: ¹H-NMR (400 MHz, DMSO-d₆) δ 7.20 (s, 2H), 6.97 (s, 1H), 2.29 (s, 3 H) ppm.

Reference： [1] Patent: US2009/36467, 2009, A1, . Location in patent: Page/Page column 66; 77
[2] Patent: US2012/108591, 2012, A1, . Location in patent: Page/Page column 32

3
[ 1228461-89-9 ]
[ 99171-11-6 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 2, p. 594 - 599

4
[ 1109286-15-8 ]
[ 17356-08-0 ]
[ 99171-11-6 ]

Reference： [1] Patent: US2009/36467, 2009, A1, . Location in patent: Page/Page column 66; 78; 79
[2] Patent: US2012/108591, 2012, A1, . Location in patent: Page/Page column 33-34

5
[ 36016-97-4 ]
[ 99171-11-6 ]

Reference： [1] Journal of Organic Chemistry, 1959, vol. 24, p. 187,188, 194

6
[ 96-50-4 ]
[ 624-92-0 ]
[ 99171-11-6 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 22, p. 5521 - 5525

[ 99171-11-6 ] Synthesis Path-Downstream 1~12

1
[ 36016-97-4 ]
[ 99171-11-6 ]

Reference： [1]Journal of Organic Chemistry,1959,vol. 24,p. 187,188, 194

2
[ 99171-11-6 ]
[ 594-42-3 ]
[ 62-53-3 ]
[ 69949-95-7 ]

Reference： [1]Journal of Pharmaceutical Sciences,1979,vol. 68,p. 182 - 185

3
[ 96-50-4 ]
[ 624-92-0 ]
[ 99171-11-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5521 - 5525

4
[ 103-82-2 ]
[ 99171-11-6 ]
<i>N</i>-(5-methylsulfanyl-thiazol-2-yl)-2-phenyl-acetamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5521 - 5525

5
[ 1109286-15-8 ]
[ 17356-08-0 ]
[ 99171-11-6 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; water;Heating / reflux;Product distribution / selectivity;	7.1 Alternate Synthesis of 5-(methylthio)thiazol-2-amine (512) A solution of bromine (1.9 mL, 37.1 mmol, 1.01 eq.) and dioxane (0.1 cm3, 0.3 eq.) in DCM (20 mL) was added dropwise to a stirred solution of (methylthio)acetaldehyde dimethyl acetal (5.00 g, 36.7 mmol, 1.0 eq.) in DCM (80 mL) at 0° C. over three hours. This mixture was allowed to warm to room temperature and stirred at this temperature for 30 minutes until NMR analysis revealed the disappearance of starting material. DCM was removed under vacuo. Crude bromide 513 was dissolved in THF (50 mL), which was followed by the addition of solution of thiourea (5.58 g, 2.0 eq) in THF (100 mL) and water (20 mL). The solution was refluxed overnight. Solvent was removed under vacuo and the crude product was extracted with EtOAc (50 mL) three times. The combined organic layers were washed with brine solution and dried over anhydrous MgSO4. Product purification through flash column chromatography gave the required product, 2-amino-5-methylthiothiazole 512 (1.35 g, 25.2percent yield), as a brown solid. Data for 512: TLC (silica gel) Rf=0.2 (1:1, Hex:EtOAc); 1H-NMR (CDCl3, 200 MHz), 2.35 (3H, s, CH3), 5.46 (2H, s, NH2), 7.06 (1H, s, CH); 1H (DMSO-d, 400 MHz), 2.29 (3H, s, CH3), 6.96 (1H, s, CH), 7.16 (2H, s, NH2); 13C-NMR (100 MHz, DMSO-d), 22.6, 115.8, 144.9, 171.8; m/z (CI+H)+147; HRMS, found, m/z 147.00540, C4H7N2S2 (MH+) requires m/z, 147.00507 (+2.4 ppm).
	In tetrahydrofuran; water;Reflux;	A solution of bromine (1.9 mL, 37.1 mmol, 1.01 eq.) and dioxane (0.1 cm3, 0.3 eq.) in DCM (20 mL) was added dropwise to a stirred solution of (methylthio)acetaldehyde dimethyl acetal (5.00 g, 36.7 mmol, 1.0 eq.) in DCM (80 mL) at 0° C. over three hours.This mixture was allowed to warm to room temperature and stirred at this temperature for 30 minutes until NMR analysis revealed the disappearance of starting material.DCM was removed under vacuo.Crude bromide 517 was dissolved in THF (50 mL), which was followed by the addition of solution of thiourea (5.58 g, 2.0 eq) in THF (100 mL) and water (20 mL).The solution was refluxed overnight.Solvent was removed under vacuo and the crude product was extracted with EtOAc (50 mL) three times.The combined organic layers were washed with brine solution and dried over anhydrous MgSO4.Product purification through flash column chromatography gave the required product, 2-amino-5-methylthiothiazole 514 (1.35 g, 25.2percent yield), as a brown solid.

Reference： [1]Patent: US2009/36467,2009,A1 .Location in patent: Page/Page column 66; 78; 79
[2]Patent: US2012/108591,2012,A1 .Location in patent: Page/Page column 33-34

6
[ 61296-22-8 ]
[ 5188-07-8 ]
[ 99171-11-6 ]

Yield	Reaction Conditions	Operation in experiment
55%	In methanol; ethanol; at 20 - 50℃;Product distribution / selectivity;	6.1 Synthesis of 5-(methylthio)-1,3-thiazol-2-amine (512) A solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (18.0 mL) was added to a suspension of <strong>[61296-22-8]2-amino-5-bromothiazole monohydrobromide</strong> 505 (2.50 g, 14.0 mmol) in anhydrous ethanol (18.0 mL) over 5 minutes. The reaction became homogeneous. A second solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (12.0 mL) was added to the reaction. The reaction was warmed to 45° C. for 40 minutes then the heat was removed and the reaction was allowed to stir at room temperature overnight, when thin layer chromatography (1:1 EtOAc/Hexane) indicated most of the starting material consumed along with the formation of a new product. Additional sodium thiomethoxide (0.20 g, 2.85 mmol) was added to the reaction and the reaction was re-warmed to 50° C. After heating for 2 hours, the reaction was cooled to room temperature and concentrated in vacuo. The residue was dissolved in dichloromethane and washed three times with water, once with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to give 512 (1.12 g, 55percent) as an orange solid. Data for 512: 1H-NMR (400 MHz, DMSO-d6) delta 7.20 (s, 2 H), 6.97 (s, 1 H), 2.29 (s, 3 H) ppm.
55%	In ethanol; at 20 - 50℃; for 2.75h;Product distribution / selectivity;	A solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (18.0 mL) was added to a suspension of <strong>[61296-22-8]2-amino-5-bromothiazole monohydrobromide</strong> 505 (2.50 g, 14.0 mmol) in anhydrous ethanol (18.0 mL) over 5 minutes.The reaction became homogeneous.A second solution of sodium thiomethoxide (1.09 g, 14.8 mmol) dissolved in methanol (12.0 mL) was added to the reaction.The reaction was warmed to 45° C. for 40 minutes then the heat was removed and the reaction was allowed to stir at room temperature overnight, when thin layer chromatography (1:1 EtOAc/Hexane) indicated most of the starting material consumed along with the formation of a new product.Additional sodium thiomethoxide (0.20 g, 2.85 mmol) was added to the reaction and the reaction was re-warmed to 50° C.After heating for 2 hours, the reaction was cooled to room temperature and concentrated in vacuo.The residue was dissolved in dichloromethane and washed three times with water, once with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to give 514 (1.12 g, 55percent) as an orange solid. Data for 514: 1H-NMR (400 MHz, DMSO-d6) delta 7.20 (s, 2H), 6.97 (s, 1H), 2.29 (s, 3 H) ppm.

Reference： [1]Patent: US2009/36467,2009,A1 .Location in patent: Page/Page column 66; 77
[2]Patent: US2012/108591,2012,A1 .Location in patent: Page/Page column 32

7
[ 99171-11-6 ]
[ 5538-51-2 ]
[ 1109286-02-3 ]

Yield	Reaction Conditions	Operation in experiment
98%	With triethylamine; In tetrahydrofuran; at 20℃;	7.2 Synthesis of 2-(5-(methylthio)thiazol-2-ylcarbamoyl)phenyl acetate (69) Under nitrogen a solution of acetylsalicyloyl chloride (1.237 g, 6.20 mmol, 1.3 eq) in THF (40 mL) was added to a stirred solution of 5-(methylthio)thiazol-2-amine? (700.0 mg, 4.79 mmol, 1.0 eq) in dry THF (mL). This was followed by the addition of triethylamine (0.67 mL, 4.79 mmol, 1.0 eq). The reaction mixture was stirred at room temperature and monitored by TLC. After two hours, reaction was filtered through sintered funnel and solvent removed in vacuo. The crude product was dissolved in EtOAc (150 mL) and washed twice each with 1M HCl and saturated aq. sodium hydrogen carbonate solutions. The organic fraction was dried over MgSO4 followed the removal of solvent. Flash column chromatography yielded the pure product 69 (1.450 g, 98percent) as a solid. Data for 69: m.p.=145-147° C.; TLC (silica gel) Rf=0.36 (Hex:EtOAc, 1:1); 1H-NMR (DMSO-d, 400 MHz), 2.23 (3H, s, CH3), 2.47 (3H, s, CH3), 7.28 (1H, dd, J=1.0, 8.0 Hz, ArH), 7.41 (1H, td, J=1.0, 7.6 Hz, ArH), 7.56 (1H, s, CH), 7.63 (1H, td, J=1.7, 8.0 Hz, ArH), 7.78 (1H, dd, J=1.7, 7.6 Hz, ArH), 12.70 (1H, s, NH); 13C-NMR (DMSO-d, 100 MHz), 21.1, 22.0, 123.7, 124.6, 126.2, 126.9, 130.0, 133.1, 141.6, 148.9, 160.0, 164.5, 169.2; m/z (CI) 309 (MH-); HRMS, found 309.03654, C13H13N2O3S2 requires 309.03677, (-0.8 ppm).
98%	With triethylamine; In tetrahydrofuran; at 20℃; for 2.0h;Inert atmosphere;	Under nitrogen a solution of acetylsalicyloyl chloride (1.24 g, 6.20 mmol, 1.3 eq) in THF (40 mL) was added to a stirred solution of 5-(methylthio)thiazol-2-amine 514 (700.0 mg, 4.79 mmol, 1.0 eq) in dry THF (5 mL).This was followed by the addition of triethylamine (0.67 mL, 4.79 mmol, 1.0 eq).The reaction mixture was stirred at room temperature and monitored by TLC. After two hours, reaction was filtered through sintered funnel and solvent removed in vacuo.The crude product was dissolved in EtOAc (150 mL) and washed twice each with 1M HCl and saturated aq. sodium hydrogen carbonate solutions.The organic fraction was dried over MgSO4 followed the removal of solvent.Flash column chromatography yielded the pure product 518 (1.450 g, 98percent) as a solid. Data for 518: m.p.=145-147° C.; TLC (silica gel) Rf=0.36 (Hex:EtOAc, 1:1);1H-NMR (DMSO-d, 400 MHz), 2.23 (3H, s, CH3), 2.47 (3H, s, CH3), 7.28 (1H, dd, J=1.0, 8.0 Hz, ArH), 7.41 (1H, td, J=1.0, 7.6 Hz, ArH), 7.56 (1H, s, CH), 7.63 (1H, td, J=1.7, 8.0 Hz, ArH), 7.78 (1H, dd, J=1.7, 7.6 Hz, ArH), 12.70 (1H, s, NH); 13C-NMR (DMSO-d, 100 MHz), 21.1, 22.0, 123.7, 124.6, 126.2, 126.9, 130.0, 133.1, 141.6, 148.9, 160.0, 164.5, 169.2; m/z (CI) 309 (MH+); HRMS. found 309.03654, C13H13N2O3S2 requires 309.03677, (-0.8 ppm).

Reference： [1]Patent: US2009/36467,2009,A1 .Location in patent: Page/Page column 79
[2]Patent: US2012/108591,2012,A1 .Location in patent: Page/Page column 34
[3]Journal of Medicinal Chemistry,2011,vol. 54,p. 4119 - 4132

8
[ 99171-11-6 ]
[ 1208553-23-4 ]
[ 1208552-97-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 493 - 498

9
[ 99171-11-6 ]
C₁₅H₁₇NO₅S₂ [ No CAS ]
[ 1207714-36-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 594 - 599

10
[ 1228461-89-9 ]
[ 99171-11-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 594 - 599

11
[ 3034-22-8 ]
[ 5188-07-8 ]
[ 99171-11-6 ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide; at 50℃; for 24.0h;	Step A: 5 -(methylsulfanyl)- 1,3 -thiazol-2-amine: A solution of 5 -bromo- 1,3 -thiazol-2-amine (5g, 28 mmol) and sodium thiomethoxide (2.3 g, 34 mmol) in DMF (25 mL) was heated to 50°C.After 24 h, LC/MS indicated mostly complete conversion. The solution was diluted with brine and extracted with EtOAc. The EtOAc layer was removed, dried over MgSO4, filtered and concentrated giving rise to an oil. The oil was purified using a 100 g Biotage® SNAP cartridge (0-80percent EtOAc :hexanes) to yield 5 -(methylsulfanyl)- 1,3 -thiazol-2-amine. LCMS: m/z 146.90(M+H).

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 4119 - 4132
[2]Patent: WO2015/17305,2015,A1 .Location in patent: Page/Page column 67

12
[ 99171-11-6 ]
2-bromo-5-(methylsulfanyl)-1,3-thiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 0℃; for 2.0h;	Step B: 2-bromo-5 -(methylsulfanyl)- 1,3 -thiazole: A stirred solution of 5 -(methylsulfanyl)- 1,3 - thiazol-2-amine (1.1 g, 7.9 mmol) dissolved in acetonitrile (100 mL) was treated with tert-butyl nitrite (1.9 mL, 15 mmol) followed by CuBr2 (3.5 g, 15 mmol). A dark colored solution ensued which was stirred at 0°C. After 2h, TLC and LC/MS analysis indicated complete conversion.The solution was diluted with brine and extracted with EtOAc. The organic layer was removed, dried over MgSO4, filtered and concentrated giving rise to an oil. The oil was purified using a 100 g Biotage® SNAP cartridge (0-100percent EtOAc). LCMS: m/z 209.95 (M+H).

Reference： [1]Patent: WO2015/17305,2015,A1 .Location in patent: Page/Page column 67

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Ghs Precautionary Statements

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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

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. 99171-11-6 ]

Quality Control of [ 99171-11-6 ]

Related Doc. of [ 99171-11-6 ]

Product Details of [ 99171-11-6 ]

Calculated chemistry of [ 99171-11-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 99171-11-6 ]

Application In Synthesis of [ 99171-11-6 ]

[ 99171-11-6 ] Synthesis Path-Upstream 1~6

[ 99171-11-6 ] Synthesis Path-Downstream 1~12

Related Functional Groups of [ 99171-11-6 ]

Amines

Sulfides

Related Parent Nucleus of [ 99171-11-6 ]

Thiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 99171-11-6 ]

Related Parent Nucleus of
[ 99171-11-6 ]