CAS 438249-84-4 4-Chloro-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine (HCID 11311500)

기본 정보

CAS: 438249-84-4
표준 SMILES: FC(F)(F)c1cc(Cl)nc(-c2ccccn2)n1
InChIKey: NPRHEFXGFBGECS-UHFFFAOYSA-N
분자식: C10H5ClF3N3
평균 분자량: 259.61 g/mol
단동위원소 질량: 259.0124095

이름 및 식별자

우선 이름: 4-Chloro-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
IUPAC: 4-chloro-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
현지명: 4-클로로-2-피리딘-2-일-6-트리플루오로메틸-피리미딘
영어명: 4-chloro-2-pyridin-2-yl-6-trifluoromethyl-pyrimidine
분자식: C10H5ClF3N3
분자량: 259.61

이름 및 동의어

438249-84-44-chloro-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidineRefChem:520919890-062-24-Chloro-2-(2-pyridinyl)-6-(trifluoromethyl)-pyrimidine4-chloro-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine4-chloro-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidineMFCD111001984-chloro-2-pyridin-2-yl-6-trifluoromethyl-pyrimidinePyrimidine, 4-chloro-2-(2-pyridinyl)-6-(trifluoromethyl)-SCHEMBL5483717DTXSID70462010

이름 더 보기

4-클로로-2-피리딘-2-일-6-트리플루오로메틸-피리미딘4-Chloro-2-(2-pyridinyl)2-[4-Chloro-6-(trifluoromethyl)pyrimidin-2-yl]pyridine

NSA24984SBB102219AKOS0050699523E-367SDB-358014EN300-724194-chloro-2-(2-pyridinyl)-6-trifluoromethylpyrimidine4-chloro-2-(2-pyridyl)-6-(trifluoromethyl)pyrimidine

데이터베이스 식별자

CAS: 438249-84-4
PubChem CID: 11311500

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 262

물리화학적 성질

끓는 점: 231.9 · 231.9±40.0 °C(Predicted)
밀도: 1.443 · 1.443±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -0.47 · -0.47±0.19(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.