[ CAS No. 863127-77-9 ] {[proInfo.proName]}

Name: 863127-77-9|N-(2-Chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide hydrate|98%
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Quality Control of [ 863127-77-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 863127-77-9 ]

Product Details of [ 863127-77-9 ]

CAS No. :	863127-77-9	MDL No. :	MFCD08704581
Formula :	C₂₂H₂₈ClN₇O₃S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XHXFZZNHDVTMLI-UHFFFAOYSA-N
M.W :	506.02	Pubchem ID :	11540687
Synonyms :	BMS-354825 monohydrate

Calculated chemistry of [ 863127-77-9 ]

Physicochemical Properties

Num. heavy atoms :	34
Num. arom. heavy atoms :	17
Fraction Csp3 :	0.36
Num. rotatable bonds :	8
Num. H-bond acceptors :	7.0
Num. H-bond donors :	4.0
Molar Refractivity :	141.68
TPSA :	143.98 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.37
Log Po/w (XLOGP3) :	3.11
Log Po/w (WLOGP) :	2.3
Log Po/w (MLOGP) :	0.58
Log Po/w (SILICOS-IT) :	3.33
Consensus Log Po/w :	2.54

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.78
Solubility :	0.00842 mg/ml ; 0.0000166 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.8
Solubility :	0.000798 mg/ml ; 0.00000158 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.88
Solubility :	0.000067 mg/ml ; 0.000000132 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.94

Safety of [ 863127-77-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 863127-77-9 ]

* 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 [ 863127-77-9 ]
Downstream synthetic route of [ 863127-77-9 ]

[ 863127-77-9 ] Synthesis Path-Upstream 1~7

1
[ 103-76-4 ]
[ 302964-08-5 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
83.2%	Stage #1: With N-ethyl-N,N-diisopropylamine In butan-1-ol at 118℃; for 4.5 h; Stage #2: With water In ethanol	To a mixture of compound 5D (4.00 g, 10.14 mmol) and hydroxyethylpiperazine (6.60 g, 50.69 mmol) in n-butanol (40 mL) was added DIPEA (3.53 mL, 20.26 mmol). The slurry was heated at 118°C for 4.5h, then cooled slowly to room temperature. The solid was collected by vacuum filtration, washed with n- butanol (5 mL), and dried. The product (5.11 g) was dissolved in hot 80percent EtOH-H2O (80 mL), and the solution was clarified by filtration. The hot solution was slowly diluted with water (15 mL) and cooled slowly to room temperature. The solid was collected by vacuum filtration, washed with 50percent ethanol-water (5 mL) and dried affording 4.27 g (83.2 percent yield) of N- (2-chloro-6-methylphenyl)-2- (6- (4- (3- hydroxyethyl) piperazin-1-yl)-2-methylpyrimidin-4-ylamino) thiazole-5-carboxamide as monohydrate. 1H NMR (400 MHz, DMSO-d6) # 2.23 (s, 3H), 2.40 (s, 3H), 2.42 (t, 2H, J=6), 2.48 (t, 4H, J=6.3), 3.50 (m, 4H), 3.53 (q, 2H, J=6), 4.45 (t, 1H, J=5.3), 6.04 (s, 1H), 7.25 (t, 1H, J=7.6), 7.27 (dd, 1H, J=7.6, 1.7), 7.40 (dd, 1H, J=7.6, 1.7), 8.21 (s, 1H), 9. 87 (s, 1H), 11.47.

Reference： [1] Patent: WO2005/77945, 2005, A2, . Location in patent: Page/Page column 52
[2] Patent: US2009/118297, 2009, A1, . Location in patent: Page/Page column 32-33

2
[ 302962-49-8 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
21 g	With water In methanolHeating	Take 25g of dasatinib into 2000ml of methanol, stir and heat to dissolve, filter it while hot, add 500ml of water under stirring in the filtrate, stop stirring, naturally cool, slowly precipitate fine crystals, leave at room temperature overnight, and then add 1500ml of water After the addition, continue to crystallize for 10 hours.The precipitated white crystals were filtered off with suction, washed with a small amount of methanol, vacuum-dried at 60° C., and phosphorus pentoxide was used for drying to obtain 21 g of a white crystalline solid.

Reference： [1] Patent: WO2005/77945, 2005, A2, . Location in patent: Page/Page column 58-59
[2] Patent: WO2007/35874, 2007, A1, . Location in patent: Page/Page column 57-58
[3] Patent: CN103880833, 2018, B, . Location in patent: Paragraph 0081-0104

3
[ 910297-51-7 ]
[ 540-51-2 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
93%	With caesium carbonate; potassium iodide In acetonitrile for 6 h; Reflux	2-bromoethanol (3.9 g, 0.03), Cs₂CO₃ (10.2 g, 0.03 mol), KI (0.17g, 1 mmol) was added to a stirred suspension of compound 2 (7.0 g, 0.02 mol), in acetonitrile (105.0 mL) and refluxed for 6h. Water (280.0 mL) was added slowlyat 75-80°C, cooled to 25-30°C and stirred for 2h. The precipitated solid was collected by vacuum filtration, washed the wet cake with Acetonitrile (28.0 mL), water (35.0 mL), yielded the final compound, Dasatinib monohydrate 1 (7.4 g, 93percent) as a white solid. MR: 279-280 °C (free base); IR (KBr, cm-1): 3421.5 (N-H), 3250.58 (O-H), 1618.3 (C=O); UV (Methanol): max,322.16 nm; 1H NMR spectrum (400 MHz, DMSO-d6), δ, ppm (J, Hz): 10.47 (bs, 1H, thiazole-NH), 9.88 (s, 1H,amide-NH), 8.22 (s, 1H, thiazole-H), 7.40 (dd, 1H, J =6.1, 1.2, Ar-H), 7.30-7.23 (m, 2H, J =7.3, Ar-H), 6.04 (s,1H, pyrimidine-H), 4.46 (t, J = 4.8, -OH), 3.54-3.51 (m, 6H, -CH2CH2OH & piperazine-CH2), 2.48-2.46 (m, 4H,piperazine-CH2), 2.44-2.42 (m, 2H, -CH2CH2OH), 2.40 (s, 3H, Ar-CH3), 2.24 (s, 3H, pyrimidine-CH3); 13C NMRspectrum (100 MHz, DMSO-d6), δ, ppm: 165.2 (pyrimidine-C), 162.6 (pyrimidine-C), 162.4 (pyrimidine-C),160.0 (amide-C), 156.9 (thiazole-C), 140.9 (Ar-C), 138.8 (thiazole-C), 133.5 (thiazole-C), 132.5 (Ar-C), 129.0(Ar-C), 128.2 (Ar-C), 127.0 (Ar-C), 125.7 (pyrimidine-C), 82.6 (pyrimidine-C), 60.2 (piperazine-2C), 58.5(piperazine-2C), 52.7 (CH2), 43.6 (CH2), 25.6 (Ar-CH3), 18.4 (pyrimidine-CH3); MS (ESI) m/z 488.6 [M + H] +;Anal. Calcd percent for C22H28ClN7O3S: C 54.15; H 5.37; N 20.09. Found: C 54.13; H 5.36; N 20.13; HPLC Purity:99.91percent (tR = 27.4 min.); 2-brpmoethanol content by Headspace GC: 3 ppm; p-XRD: Observed 2 values at 18.0,18.4, 19.2, 19.6, 21.2, 24.5, 25.9; 28.0; DSC (Differential scanning calorimetry): Obtained endotherm at 287.23°C(92.05 J/g); TGA (Thermogravimetric analysis): weight (water) loss (percent) = 3.488 [5,9].

Reference： [1] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621

4
[ 302964-24-5 ]
[ 863127-77-9 ]

Reference： [1] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621
[2] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621

5
[ 302964-06-3 ]
[ 863127-77-9 ]

Reference： [1] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621
[2] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621

6
[ 302964-08-5 ]
[ 863127-77-9 ]

Reference： [1] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621
[2] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621

7
[ 1780-26-3 ]
[ 863127-77-9 ]

Reference： [1] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621
[2] Synthetic Communications, 2017, vol. 47, # 17, p. 1610 - 1621

[ 863127-77-9 ] Synthesis Path-Downstream 1~10

1
[ 103-76-4 ]
[ 302964-08-5 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
83.2%		To a mixture of compound 5D (4.00 g, 10.14 mmol) and hydroxyethylpiperazine (6.60 g, 50.69 mmol) in n-butanol (40 mL) was added DIPEA (3.53 mL, 20.26 mmol). The slurry was heated at 118°C for 4.5h, then cooled slowly to room temperature. The solid was collected by vacuum filtration, washed with n- butanol (5 mL), and dried. The product (5.11 g) was dissolved in hot 80percent EtOH-H2O (80 mL), and the solution was clarified by filtration. The hot solution was slowly diluted with water (15 mL) and cooled slowly to room temperature. The solid was collected by vacuum filtration, washed with 50percent ethanol-water (5 mL) and dried affording 4.27 g (83.2 percent yield) of N- (2-chloro-6-methylphenyl)-2- (6- (4- (3- hydroxyethyl) piperazin-1-yl)-2-methylpyrimidin-4-ylamino) thiazole-5-carboxamide as monohydrate. 1H NMR (400 MHz, DMSO-d6) # 2.23 (s, 3H), 2.40 (s, 3H), 2.42 (t, 2H, J=6), 2.48 (t, 4H, J=6.3), 3.50 (m, 4H), 3.53 (q, 2H, J=6), 4.45 (t, 1H, J=5.3), 6.04 (s, 1H), 7.25 (t, 1H, J=7.6), 7.27 (dd, 1H, J=7.6, 1.7), 7.40 (dd, 1H, J=7.6, 1.7), 8.21 (s, 1H), 9. 87 (s, 1H), 11.47.
		Example 23; Procedure for the Preparation of Dasatinib Form H1-7 (Monohydrate)A mixture of compound 1 (133.9 mg, 0.5 mmol), N-(2-hydroxyethyl)piperazine (260.4 mg, 2 mmol) and N-ethyldiisopropylamine (0.174 ml, 1 mmol) in DMF (0.5 ml) was stirred at 100° C. for 2.5 h. H2O (3 ml) was added to the solution at the same temperature. A gummy product precipitated. The suspension was allowed to cool slowly to room temperature and stirred for 2 h at room temperature. The product was filtered washed with H2O (2.x.) and dried on the filter. Yield: 140 mg.

Reference： [1]Patent: WO2005/77945,2005,A2 .Location in patent: Page/Page column 52
[2]Patent: US2009/118297,2009,A1 .Location in patent: Page/Page column 32-33

2
[ 302962-49-8 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
	With water; In ethanol; at 75 - 80℃;	An example of the crystallization procedure to obtain the crystalline monohydrate form is shown here: Charge 48, g of the compound of formula (IV). Charge approximately 1056 mL (22 mL/g) of ethyl alcohol, or other suitable alcohol. Charge approximately 144 mL of water. Dissolve the suspension by heating to approximately 75 °C. Optional: Polish filter by transfer the compound of formula (IV) solution at 75 °C through the preheated filter and into the receiver. Rinse the dissolution reactor and transfer lines with a mixture of 43 mL of ethanol and 5 mL of water. Heat the contents in the receiver to 75-80 °C and maintain 75-80 °C to achieve complete dissolution. Charge approximately 384 mL of water at a rate such that the batch temperature is maintained between 75-80 °C. Cool to 75 °C, and, optionally, charge monohydrate seed crystals. Seed crystals are not essential to obtaining monohydrate, but provide better control of the crystallization. Cool to 70 °C and maintain 70 °C for ca. 1 h. Cool from 70 to 5 C over 2 h, and maintain the temperature between 0 at 5 °C for at least 2 h. Filter the crystal slurry. Wash the filter cake with a mixture of 96 mL of ethanol and 96 mL of water. Dry the material at < 50 °C under reduced pressure until the water content is 3.4 to 4. 1percent by KF to afford 41 g (85 Mpercent).
	With water; In ethanol; at 0 - 80℃; for 5h;	PREPARATION OF CRYSTALS OF COMPOUND I (FREE BASE); A. PREPARATION OF THE MONOHYDRATE CRYSTALLINE FORM OF COMPOUND I (FREE BASE); [00275] Crystals of a monohydrate crystalline form of Compound I may be prepared by the general procedure described below:[00276] A suspension is prepared by admixing 48 g of the Compound I and approximately 1056 mL (22 mL/g) of ethyl alcohol, followed by the addition of approximately 144 mL of water. Next, Compound I is dissolved by heating the suspension to approximately 75°C. The Compound I solution is passed through a preheated filter and into a receiver vessel. The dissolution reactor and transfer lines EPO <DP n="59"/>are rinsed with a mixture of 43 rnL EtOH and 5 mL of water. The contents of the receiver vessel are heated to approximately 75-80°C and maintained at this temperature range to achieve complete dissolution. Next, approximately 384 mL of water is added at a rate such that the batch temperature is maintained between 75- 800C. The contents of the receiver vessel are cooled to 700C and then maintained at 700C for about 1 hour. The temperature is decreased to 50C over a period of 2 hours, and maintained between 0-5°C for at least 2 hours. The resulting crystal slurry is filtered. The filter cake is washed with a mixture of 96 mL EtOH and 96 mL of water. The crystals are dried at < 500C under reduced pressure until the water content is in the range of from 3.4 to 4.1percent by KF to afford 41 g (85 Mpercent).
21 g	With water; In methanol;Heating;	Take 25g of dasatinib into 2000ml of methanol, stir and heat to dissolve, filter it while hot, add 500ml of water under stirring in the filtrate, stop stirring, naturally cool, slowly precipitate fine crystals, leave at room temperature overnight, and then add 1500ml of water After the addition, continue to crystallize for 10 hours.The precipitated white crystals were filtered off with suction, washed with a small amount of methanol, vacuum-dried at 60° C., and phosphorus pentoxide was used for drying to obtain 21 g of a white crystalline solid.

Reference： [1]Patent: WO2005/77945,2005,A2 .Location in patent: Page/Page column 58-59
[2]Patent: WO2007/35874,2007,A1 .Location in patent: Page/Page column 57-58
[3]Patent: CN103880833,2018,B .Location in patent: Paragraph 0081-0104

3
[ 863127-77-9 ]
[ 302962-49-8 ]

Yield	Reaction Conditions	Operation in experiment
	In propan-1-ol; water; at 0 - 5℃; for 1h;Heating / reflux;Product distribution / selectivity;	Example 28; Procedure for the Preparation of <strong>[863127-77-9]Dasatinib</strong> Form K3<strong>[863127-77-9]Dasatinib</strong> (form H1-7, 1 g) was dissolved in a mixture of n-PrOH (30 ml) and H2O (5 ml) under reflux. The resulting solution was quickly cooled to 0-5° C. (ice bath). The product was filtered off after 1 h, washed with n-PrOH and dried under reduced pressure at 50° C. for 2 h. Yield 620 mg.
	In water; isopropyl alcohol; at 0 - 5℃; for 1h;Heating / reflux;Product distribution / selectivity;	Example 30; Procedure for the Preparation of <strong>[863127-77-9]Dasatinib</strong> Form A3<strong>[863127-77-9]Dasatinib</strong> (form H1-7, 1 g) was dissolved in a mixture of iso-PrOH (30 ml) and H2O (14 ml) under reflux. The resulting solution was quickly cooled to 0-5° C. (ice bath). The product was filtered off after 1 h, washed with iso-PrOH and dried under reduced pressure at 50° C. for 2 h. Yield 620 mg.Example 31Procedure for the Preparation of <strong>[863127-77-9]Dasatinib</strong> Form A3<strong>[863127-77-9]Dasatinib</strong> (form H1-7, 1 g) was dissolved in a mixture of iso-PrOH (30 ml) and H2O (8 ml) under reflux. The resulting solution was quickly cooled to 0-5° C. (ice bath). The product was filtered off after 1 h, washed with iso-PrOH and dried under reduced pressure at 50° C. for 2 h. Yield 620 mg.

Reference： [1]Patent: US2009/118297,2009,A1 .Location in patent: Page/Page column 33
[2]Patent: US2009/118297,2009,A1 .Location in patent: Page/Page column 33

4
[ 910297-51-7 ]
[ 540-51-2 ]
[ 863127-77-9 ]

Yield	Reaction Conditions	Operation in experiment
93%	With caesium carbonate; potassium iodide; In acetonitrile; for 6h;Reflux;	2-bromoethanol (3.9 g, 0.03), Cs2CO3 (10.2 g, 0.03 mol), KI (0.17g, 1 mmol) was added to a stirred suspension of compound 2 (7.0 g, 0.02 mol), in acetonitrile (105.0 mL) and refluxed for 6h. Water (280.0 mL) was added slowlyat 75-80°C, cooled to 25-30°C and stirred for 2h. The precipitated solid was collected by vacuum filtration, washed the wet cake with Acetonitrile (28.0 mL), water (35.0 mL), yielded the final compound, Dasatinib monohydrate 1 (7.4 g, 93percent) as a white solid. MR: 279-280 °C (free base); IR (KBr, cm-1): 3421.5 (N-H), 3250.58 (O-H), 1618.3 (C=O); UV (Methanol): max,322.16 nm; 1H NMR spectrum (400 MHz, DMSO-d6), delta, ppm (J, Hz): 10.47 (bs, 1H, thiazole-NH), 9.88 (s, 1H,amide-NH), 8.22 (s, 1H, thiazole-H), 7.40 (dd, 1H, J =6.1, 1.2, Ar-H), 7.30-7.23 (m, 2H, J =7.3, Ar-H), 6.04 (s,1H, pyrimidine-H), 4.46 (t, J = 4.8, -OH), 3.54-3.51 (m, 6H, -CH2CH2OH & piperazine-CH2), 2.48-2.46 (m, 4H,piperazine-CH2), 2.44-2.42 (m, 2H, -CH2CH2OH), 2.40 (s, 3H, Ar-CH3), 2.24 (s, 3H, pyrimidine-CH3); 13C NMRspectrum (100 MHz, DMSO-d6), delta, ppm: 165.2 (pyrimidine-C), 162.6 (pyrimidine-C), 162.4 (pyrimidine-C),160.0 (amide-C), 156.9 (thiazole-C), 140.9 (Ar-C), 138.8 (thiazole-C), 133.5 (thiazole-C), 132.5 (Ar-C), 129.0(Ar-C), 128.2 (Ar-C), 127.0 (Ar-C), 125.7 (pyrimidine-C), 82.6 (pyrimidine-C), 60.2 (piperazine-2C), 58.5(piperazine-2C), 52.7 (CH2), 43.6 (CH2), 25.6 (Ar-CH3), 18.4 (pyrimidine-CH3); MS (ESI) m/z 488.6 [M + H] +;Anal. Calcd percent for C22H28ClN7O3S: C 54.15; H 5.37; N 20.09. Found: C 54.13; H 5.36; N 20.13; HPLC Purity:99.91percent (tR = 27.4 min.); 2-brpmoethanol content by Headspace GC: 3 ppm; p-XRD: Observed 2 values at 18.0,18.4, 19.2, 19.6, 21.2, 24.5, 25.9; 28.0; DSC (Differential scanning calorimetry): Obtained endotherm at 287.23°C(92.05 J/g); TGA (Thermogravimetric analysis): weight (water) loss (percent) = 3.488 [5,9].

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

5
[ 302964-24-5 ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621
[2]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

6
[ 302964-06-3 ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621
[2]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

7
[ 302964-08-5 ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621
[2]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

8
[ 1780-26-3 ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621
[2]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

9
<SUP>t</SUP>butyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazine-1-carboxylate [ No CAS ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

10
N-(2-chloro-6-methylphenyl)-2-((6-(4-formylpiperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide [ No CAS ]
[ 863127-77-9 ]

Reference： [1]Synthetic Communications,2017,vol. 47,p. 1610 - 1621

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A355193[ 302962-49-8 ]

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Reason: Hydrate

A2667750[ 302962-49-8 ]

N-(2-Chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide

Reason: Hydrate

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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

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. 863127-77-9 ] {[proInfo.proName]}

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[ 863127-77-9 ] Synthesis Path-Upstream 1~7

[ 863127-77-9 ] Synthesis Path-Downstream 1~10

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