2,4,5-Trichloropyrimidine

2,4,5-TrichL · 2,4,5-Trichloropyrim · 2,4,5-Tricluoroaniline · 2,5,6-TRICHLOROPYRIMIDINE · 2,4,5-TRICHLOROPYRIMIDINE · 2,4,5-Trichloro-1,3-diazine · 2,4,5-three chloropyriMidine · Pyrimidine, 2,4,5-trichloro-

https://huagongshe.com/ko/chemical/237259

식별자 및 물리적 특성

CAS No.	5750-76-5
분자식	C4HCl3N2
평균 분자량	183.42 g/mol
단동위원소 질량	181.920531 g/mol
SMILES	Clc1ncc(Cl)c(Cl)n1
InChIKey	GIKMWFAAEIACRF-UHFFFAOYSA-N
PubChem CID	237259
ChEMBL	CHEMBL1979246
EC No.	628-281-0
DTXSID	DTXSID50206116

화학 및 물리적 성질

XLogP	2.8
극성 표면적	25.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	99
끓는 점	84°C 1mm
밀도	1.6001 g/mL at 25 °C (lit.)
굴절률	n20/D 1.574(lit.)
인화점	>230 °F
저장 조건	Inert atmosphere,Store in freezer, under -20°C
물리적 상태	투명한 액체
pKa(산도 계수)	-4.26±0.29(Predicted)
색상	Colorless to Light orange to Yellow
용해도	물에 섞이거나 혼합하기 어렵지 않습니다.
BRN	4449
InChI	InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey	GIKMWFAAEIACRF-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=C(Cl)C(Cl)=N1

화학적 성질

Colorless to pale yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 3.4% (2 of 58) of reports.DangerH314 (10.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (84.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 58 reports by companies.There are 11 notifications provided by 56 of 58 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Corr. 1B (10.3%)Skin Irrit. 2 (86.2%)Eye Irrit. 2 (86.2%)STOT SE 3 (84.5%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3267
관세 코드	29335990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
포장분류	III
위험 등급	8Eye Irrit. 2Skin Irrit. 2STOT SE 3

용도

2,4,5-Trichloropyrimidine is used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of EGFR inhibitors.