2-(브로모메틸)-5-(트리플루오로메틸)피리딘

2-(Bromomethyl)-5-(trifluoromethyl)pyridine

HCID 21441094

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1000773-62-5
표준 SMILES: FC(F)(F)c1ccc(CBr)nc1
InChIKey: UMXIAVUQROUXKO-UHFFFAOYSA-N
분자식: C7H5BrF3N
평균 분자량: 240.02 g/mol
단동위원소 질량: 238.95574592

이름 및 식별자

우선 이름: 2-(Bromomethyl)-5-(trifluoromethyl)pyridine
IUPAC: 2-(bromomethyl)-5-(trifluoromethyl)pyridine
현지명: 2-(브로모메틸)-5-(트리플루오로메틸)피리딘
영어명: 2-(BroMoMethyl)-5-(trifluoroMethyl)pyridine
분자식: C7H5BrF3N
분자량: 240.02

이름 및 동의어

2-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE1000773-62-5DTXSID70613944RefChem:253353DTXCID20564699960-141-7MFCD11846578Pyridine, 2-(bromomethyl)-5-(trifluoromethyl)-2-bromomethyl-5-(trifluoromethyl)pyridineSCHEMBL485439AKOS0159993982-bromomethyl-5-trifluoromethyl-pyridine

이름 더 보기

2-(브로모메틸)-5-(트리플루오로메틸)피리딘

AMY19174SCHEMBL29674565AS-30902SY033943DB-337755EN300-127342F211702

데이터베이스 식별자

CAS: 1000773-62-5
PubChem CID: 21441094
DTXSID: DTXSID70613944
EC Number: 960-141-7

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 211.7 · 211.7±35.0 °C(Predicted)
밀도: 1.647 · 1.647±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 1.02 · 1.02±0.22(Predicted)
InChI: InChI=1S/C7H5BrF3N/c8-3-6-2-1-5(4-12-6)7(9,10)11/h1-2,4H,3H2
InChIKey: UMXIAVUQROUXKO-UHFFFAOYSA-N
SMILES: C1(CBr)=NC=C(C(F)(F)F)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.