[ CAS No. 1197953-54-0 ] {[proInfo.proName]}

Name: 1197953-54-0|(2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide|98%
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Quality Control of [ 1197953-54-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1197953-54-0 ]

Product Details of [ 1197953-54-0 ]

CAS No. :	1197953-54-0	MDL No. :	MFCD29472221
Formula :	C₂₉H₃₉ClN₇O₂P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AILRADAXUVEEIR-UHFFFAOYSA-N
M.W :	584.09	Pubchem ID :	68165256
Synonyms :	AP-26113

Calculated chemistry of [ 1197953-54-0 ]

Physicochemical Properties

Num. heavy atoms :	40
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.45
Num. rotatable bonds :	8
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	176.58
TPSA :	95.67 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.02
Log Po/w (XLOGP3) :	4.65
Log Po/w (WLOGP) :	3.95
Log Po/w (MLOGP) :	2.58
Log Po/w (SILICOS-IT) :	2.77
Consensus Log Po/w :	3.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.2
Solubility :	0.000372 mg/ml ; 0.000000637 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.39
Solubility :	0.00024 mg/ml ; 0.000000412 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.71
Solubility :	0.00000114 mg/ml ; 0.000000002 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	5.27

Safety of [ 1197953-54-0 ]

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

Application In Synthesis of [ 1197953-54-0 ]

* 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 [ 1197953-54-0 ]

[ 1197953-54-0 ] Synthesis Path-Downstream 1~14

1
2-methoxy-4-[4-(4-methylpiperazin-1-yl)-piperidin-1-yl]-phenylamine [ No CAS ]
[ 1197953-49-3 ]
5-chloro-N⁴-[2-(dimethylphosphonyl)phenyl]-N²-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With hydrogenchloride; In ethanol; 2-methoxy-ethanol; at 120℃; for 5.5h;Sealed tube;	Synthesis of 5 (0798) A solution of 2 (1.0 eq), 4 (1.4 eq), and 2.5 M HCl in ethanol (excess) in 2-methoxyethanol was sealed and heated at 120 C. with stirring for 5.5 hours and then cooled to r.t. The reaction was repeated 5 times and combined. The mixture was filtered and evaporated. Saturated Na2CO3 was added, followed by DCM with stirring strongly. The layers were separated and the aqueous layer was extracted with DCM. The organics were dried, evaporated and chromatographed [EtOAc/MeOH (7M ammonia) 20:1] to give a yellow solid. EtOAc was added and the suspension was refluxed for 30 minutes. After cooled to r.t., filtration gave a solid, which was dissolved in DCM, filtered, and evaporated to afford 5 as an off-white solid (66% yield).
65%	With hydrogenchloride; In ethanol; 2-methoxy-ethanol; at 120℃;	[00373] A mixture of (2-((2,5dichloropym idin4yl)ani ino)phenydmethylphosphine oxide (55 g, 0.174 mol, 1.0 eq.), (74.29,0.244 mol, 1.4 eq.), and HC in EtOH (2.5 M, 175 mL) in 2methoxyethanol (750 mL) was stirred at 120 C for -6 h. Upon cooUng to ri, the mixture was concentrated in vcauo, and the resultinq residue was dissolved in water (400 mL), and washed with EtOAc (500 mL). Aqueous sodium hydroxide (20% v?w) was added to the aqueous layer until the pH was -12 (as determhed by pH paper). The aqueous layer was extracted with DCM (3 x 500 mL), and the combined organic layers were concentrated in vacuo. The residue was triturated with EtOAc/MeOH (9/1 v/v, 250 mL) and EtOAc/heptane (1/2 v/v, 300 mL), sequentially, at rt for -i h, and then filtered to afford a light color solid (Batch A). [00374] Another batch of - yl)piperidin-1 -y)phenyflamino)pyrimidin-4-yamino)phenydirnethyl-phosphine oxide was prepared using (2-((2,5-dichloropyrimidin-4-y)amino)phenydimethylphosphine oxide (50.8 g, 0161 mol, 1.0 eq.), 2-methoxy4-(4-(4-niethylpiperazia-t-yl)piperidin4-yaniline (68.4 g, 0.225 mol, 1.4 eq.), and HCI in EtCH (2.5 M, 160 mL) in 2methoxyethanol (650 mL). After the previously described workup, a solid was obtained (Batch B).[00375] The two batches (Batch A and Batch B) were combined and triturated with MeCH/EtOAc (1% v/v, 500 mL) and MeOH/EtOAc (2,5% v/v. 500 mL) at rt for -30 mm, and then filtered. The isolated solids were then triturated with hot EtOAc (500 mL) for 15 minutes followed by cooling to rt, and then filtration. The isolated solids were then triturated in hot MeOH1EtOAc (2% v/v, 500 mL) for 15 minutes followed by cooling to room temperature and filtration. Then the isolated solids were triturated in DCM (750 mL) at room temperature. The resufting sokition was Filtered and the collected soild was dried in vacuo to afford (2-((5- chloro-2((2-methoxy-4-(4-(4-methylpiperazin.-1 -ypiperidin-1 -yQphenyamino)pyrimidin-4 yl)amino)phenyl)dimethylphosphine oxide as a beige solld. 127 g, 65% yi&d. 1H NMR:refer to Table 2. ES[-MS mis: 584.2 [M±H].

Reference： [1]Patent: US2015/225436,2015,A1 .Location in patent: Paragraph 0797
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 4948 - 4964
[3]Patent: WO2016/65028,2016,A1 .Location in patent: Paragraph 00373; 00374; 00375

2
[ 615-43-0 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: palladium diacetate; potassium phosphate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / N,N-dimethyl-formamide / 3 h / 150 °C 2: potassium carbonate / N,N-dimethyl-formamide / 5 h / 60 °C 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 5.5 h / 120 °C / Sealed tube
	Multi-step reaction with 3 steps 1: palladium diacetate; potassium phosphate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / N,N-dimethyl-formamide / 6 h / 120 °C / Inert atmosphere 2: potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate / N,N-dimethyl-formamide / 8 h / 65 °C 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 6 h / 120 °C / Sealed tube
	Multi-step reaction with 3 steps 1: potassium phosphate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / N,N-dimethyl-formamide / 0.12 °C 2: potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate / N,N-dimethyl-formamide / 65 °C 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 120 °C

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - US2015/225436, 2015, A1
[2]Huang, Wei-Sheng; Liu, Shuangying; Zou, Dong; Thomas, Mathew; Wang, Yihan; Zhou, Tianjun; Romero, Jan; Kohlmann, Anna; Li, Feng; Qi, Jiwei; Cai, Lisi; Dwight, Timothy A.; Xu, Yongjin; Xu, Rongsong; Dodd, Rory; Toms, Angela; Parillon, Lois; Lu, Xiaohui; Anjum, Rana; Zhang, Sen; Wang, Frank; Keats, Jeffrey; Wardwell, Scott D.; Ning, Yaoyu; Xu, Qihong; Moran, Lauren E.; Mohemmad, Qurish K.; Jang, Hyun Gyung; Clackson, Tim; Narasimhan, Narayana I.; Rivera, Victor M.; Zhu, Xiaotian; Dalgarno, David; Shakespeare, William C. [Journal of Medicinal Chemistry, 2016, vol. 59, # 10, p. 4948 - 4964]
[3]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2016/65028, 2016, A1

3
[ 1197953-47-1 ]
5-chloro-N⁴-[2-(dimethylphosphonyl)phenyl]-N²-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine [ No CAS ]

Reference： [1]Patent: US2015/225436,2015,A1
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 4948 - 4964
[3]Patent: WO2016/65028,2016,A1

4
[ 448-19-1 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 18 h / 120 °C 2: hydrogen; palladium on activated charcoal / ethanol / 3 h / 2585.81 Torr 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 5.5 h / 120 °C / Sealed tube
	Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 13 h / 80 °C 2: hydrogen; palladium 10% on activated carbon / ethanol / 2.5 h 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 6 h / 120 °C / Sealed tube
	Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / Reflux 2: palladium 10% on activated carbon; hydrogen / ethanol; water / 10.34 Torr 3: hydrogenchloride / ethanol; 2-methoxy-ethanol / 120 °C

	Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 4.5 h / Reflux 2: hydrogen; 15% palladium on carbon / ethanol / 2.5 h / 25 °C / 517.16 Torr 3: triethylamine / ethanol; 1,2-dimethoxyethane / 5 h / 120 °C / Sealed tube
	Multi-step reaction with 5 steps 1.1: potassium carbonate / dimethyl sulfoxide / 5 h / 60 °C 2.1: palladium on activated charcoal; hydrogen / tetrahydrofuran / 3.5 h / 20 °C 2.2: 1.5 h / 35 °C 3.1: trifluoroacetic acid / ethanol / 16 h / Inert atmosphere; Reflux 4.1: Jones reagent / acetone / 0.5 h / 20 - 25 °C 5.1: 1,4-dioxane / 0.33 h 5.2: 20 °C

5
[ 53617-36-0 ]
5-chloro-N⁴-[2-(dimethylphosphonyl)phenyl]-N²-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine [ No CAS ]

Reference： [1]Patent: US2015/225436,2015,A1
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 4948 - 4964
[3]Patent: WO2016/65028,2016,A1

6
[ 761440-65-7 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: hydrogen; palladium on activated charcoal / ethanol / 3 h / 2585.81 Torr 2: hydrogenchloride / ethanol; 2-methoxy-ethanol / 5.5 h / 120 °C / Sealed tube
	Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / ethanol / 2.5 h 2: hydrogenchloride / ethanol; 2-methoxy-ethanol / 6 h / 120 °C / Sealed tube

7
[ 1197953-54-0 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In ethanol; water at 20 - 50℃; for 17.5h;	5 Example 5: preparation of the crystalline acid addition salts of briaatinib with hydrochloric acid (Form 01 HCI (36.0 mg of a 37% aqueous solution, 1.05 equivalent) was diluted in 4.0 mL of warm ethanol. The solution was added to brigatinib (200.8 mg, amorphous, e.g. prepared according to the procedures disclosed in WO 2016/065028 A1 , part V, followed by lyophilization process to obtain amorphous brigatinib, as described in Example 3-1 ). The mixture was sonicated and heated to about 40-50 °C to accelerate dissolution of solid material. The solution was stirred at room temperature. After about 30 minutes, formation of soli material was observed. The mixture was further stirred at room temperature for 17 hours, yielding a beige suspension. Afterwards, the suspension was filtered. The collected solid material was washed with ethanol and dried at room temperature under vacuum (about 30 mbar) for 20 hours to yield the crystalline acid addition salts of brigatinib with hydrochloric acid, Form O, as a white-off powder. Characteristic PXRD pattern of the obtained the crystalline acid addition salts of brigatinib with hydrochloric acid is shown in Figure 15. The corresponding reflection list is provided in Table 6 below (relative peak intensities can vary due to e.g. inter-apparatus variability, sample crystallinity, sample preparation, etc.).

Reference： [1]Current Patent Assignee: NOVARTIS AG; Sandoz (in: Novartis) - WO2020/99483, 2020, A1 Location in patent: Page/Page column 47-48

8
[ 1197953-54-0 ]
[ 81-04-9 ]
[ 2066517-31-3 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; water at 20℃; for 18h; Heating;	6 Example 6: preparation of the crystalline acid addition salts of brigatinib with 1.5- naphthalenedisulfonic acid (Form P) To a solid mixture containing brigatinib (202.0 mg, amorphous, e.g. prepared according to the procedures disclosed in WO 2016/065028 A1 , part V, followed by lyophilization process to obtain amorphous brigatinib, as described in Example 3-1 ) and 1 ,5-naphthalenedisulfonic acid tetrahydrate (136.0 mg, 1 .01 equivalent) were added 4.0 ml_ of warm ethanol, leading to the formation of a gel on the vial wall. The gel was removed from the vial wall and the mixture was vigorously stirred at room temperature for about 18 hours, leading to the formation of a white suspension. Afterwards, the suspension was filtered. The collected solid material was washed with ethanol, dried at room temperature under vacuum (about 30 mbar) for 48 hours and then stored at 40 °C and 75% RH for six days to yield the crystalline acid addition salts of brigatinib with 1 ,5-naphthalenedisulfonic acid, Form P. Characteristic PXRD pattern of the obtained the crystalline acid addition salts of brigatinib with 1 ,5-naphthalenedisulfonic acid is shown in Figure 16.

Reference： [1]Current Patent Assignee: NOVARTIS AG; Sandoz (in: Novartis) - WO2020/99483, 2020, A1 Location in patent: Page/Page column 48-49

9
[ 1197953-54-0 ]
[ 110-17-8 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol at 20 - 50℃; for 21h;	3.3-1-3.3-3 Example 3-1 Fumaric acid (10.4 mg, 1.04 equivalent) was dissolved in 1.0 mL ethanol under sonication. The obtained solution was added to brigatinib (50.3 mg, amorphous, e.g. prepared according to the procedures disclosed in WO 2016/065028 A1 , part V, followed by dissolution in water- acetonitrile (50:50 w-%), solution freezing in a liquid nitrogen bath and lyophilization at room temperature and a pressure of 0.1-0.5 mbar). Additional 1.0 mL ethanol was added. The mixture was heated to about 40-50 °C to accelerate dissolution of solid material. After complete dissolution of brigatinib, the clear solution was stirred at room temperature. After one hour, a suspension was formed and it was further stirred at room temperature for about 20 hours. Afterwards, the solid material was collected by filtration and dried at room temperature under vacuum (about 30 mbar) for 16 hours to yield the crystalline acid addition salts of brigatinib with fumaric acid, form M. The PXRD pattern of the obtained the crystalline acid addition salts of brigatinib with fumaric acid, form M, was essentially identical to the one shown in Figure 8.

Reference： [1]Current Patent Assignee: NOVARTIS AG; Sandoz (in: Novartis) - WO2020/99483, 2020, A1 Location in patent: Page/Page column 44-45

10
[ 1197953-54-0 ]
[ 77-92-9 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol at 20℃; for 18h;	4 Example 4: preparation of the crystalline acid addition salts of brigatinib with citric acid (Form N) To a solid mixture containing brigatinib (201.0 mg, amorphous, e.g. prepared according to the procedures disclosed in WO 2016/065028 A1 , part V, followed by lyophilization process to obtain amorphous brigatinib, as described in Example 3-1 ) and citric acid (69.1 mg, 1.05 equivalent) were added 3.5 ml_ of warm ethanol, leading to the formation of a gel on the vial wall. The obtained mixture was vigorously stirred at room temperature for about 18 hours, leading to the formation of a white suspension with some remaining gel pasted on the vial wall. Afterwards, the suspension was filtered. The collected solid material was washed with ethanol and dried at room temperature under vacuum (about 30 mbar) for 48 hours to yield the crystalline acid addition salts of brigatinib with citric acid, form N, as a white-off powder. Characteristic PXRD pattern of the obtained the crystalline acid addition salts of brigatinib with citric acid is shown in Figure 14. The corresponding reflection list is provided in Table 5 below (relative peak intensities can vary due to e.g. inter-apparatus variability, sample crystallinity, sample preparation, etc.).

Reference： [1]Current Patent Assignee: NOVARTIS AG; Sandoz (in: Novartis) - WO2020/99483, 2020, A1 Location in patent: Page/Page column 46

11
[ 5382-16-1 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: potassium carbonate / dimethyl sulfoxide / 5 h / 60 °C 2.1: palladium on activated charcoal; hydrogen / tetrahydrofuran / 3.5 h / 20 °C 2.2: 1.5 h / 35 °C 3.1: trifluoroacetic acid / ethanol / 16 h / Inert atmosphere; Reflux 4.1: Jones reagent / acetone / 0.5 h / 20 - 25 °C 5.1: 1,4-dioxane / 0.33 h 5.2: 20 °C

Reference： [1]Current Patent Assignee: HEBEI CHEMICAL PHARMACEUTICAL COLLEGE - CN112239422, 2021, A

12
[ 761440-22-6 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: palladium on activated charcoal; hydrogen / tetrahydrofuran / 3.5 h / 20 °C 1.2: 1.5 h / 35 °C 2.1: trifluoroacetic acid / ethanol / 16 h / Inert atmosphere; Reflux 3.1: Jones reagent / acetone / 0.5 h / 20 - 25 °C 4.1: 1,4-dioxane / 0.33 h 4.2: 20 °C

Reference： [1]Current Patent Assignee: HEBEI CHEMICAL PHARMACEUTICAL COLLEGE - CN112239422, 2021, A

13
[ 2589890-24-2 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: trifluoroacetic acid / ethanol / 16 h / Inert atmosphere; Reflux 2.1: Jones reagent / acetone / 0.5 h / 20 - 25 °C 3.1: 1,4-dioxane / 0.33 h 3.2: 20 °C

Reference： [1]Current Patent Assignee: HEBEI CHEMICAL PHARMACEUTICAL COLLEGE - CN112239422, 2021, A

14
[ 109-01-3 ]
[ 2589890-32-2 ]
[ 1197953-54-0 ]

Yield	Reaction Conditions	Operation in experiment
86.1%	Stage #1: 1-methyl-piperazine; C₂₄H₂₇ClN₅O₃P In 1,4-dioxane for 0.333333h; Stage #2: With sodium tris(acetoxy)borohydride In 1,4-dioxane at 20℃;	2 Add 31.30g (62.60mmol, 1.00eq) of compound 4, 250mL of 1,4-dioxane, and 13.80g (137.76mmol, 2.20eq) of N-methylpiperazine to the reaction flask, stir for 20min,Add 33.19g (156.60mmol, 2.50eq) of sodium triacetoxyborohydride in batches. After the addition is complete, react at room temperature overnight. After the reaction is over, add 350mL of water to the system to dissolve the system, add 200mL of dichloromethane, adjust the pH to 9-10 with 10% sodium hydroxide, shake and separate, extract the aqueous phase with 150mL of dichloromethane, and combine the organic phases ,The organic phase was washed successively with 150 mL of water, 150 mL of saturated brine, and concentrated under reduced pressure. 150 mL of ethyl acetate was added to the residue, the temperature was raised to 50° C., a large amount of solid was precipitated, cooled, and filtered with suction to obtain the crude brigatinib. Add 200 mL of 1% dilute hydrochloric acid aqueous solution to the crude brigatinib to dissolve the system, then adjust the pH to 9-10 with saturated potassium carbonate aqueous solution, a large amount of solids precipitate out, stir at room temperature for 1 h, filter with suction, and wash the filter cake with water (100mL*2) , Dried overnight at 45 with air blowing,31.49 g (53.91 mmol) of light yellow powder was obtained, which is a product of brigatinib, with a yield of 86.1% and a liquid phase purity of >99.93%.

Reference： [1]Current Patent Assignee: HEBEI CHEMICAL PHARMACEUTICAL COLLEGE - CN112239422, 2021, A Location in patent: Paragraph 0070; 0077-0082

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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. 1197953-54-0 ] {[proInfo.proName]}

Quality Control of [ 1197953-54-0 ]

Related Doc. of [ 1197953-54-0 ]

Product Details of [ 1197953-54-0 ]

Calculated chemistry of [ 1197953-54-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1197953-54-0 ]

Application In Synthesis of [ 1197953-54-0 ]

[ 1197953-54-0 ] Synthesis Path-Downstream 1~14

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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