4-Fluoro-2-(trifluoromethyl)benzonitrile

HCID 605085CAS 194853-86-6

기본 정보

표준 SMILES: N#Cc1ccc(F)cc1C(F)(F)F
InChIKey: LCCPQUYXMFXCAC-UHFFFAOYSA-N
분자식: C8H3F4N
평균 분자량: 189.11 g/mol
단동위원소 질량: 189.02016198

이름 및 식별자

우선 이름: 4-Fluoro-2-(trifluoromethyl)benzonitrile
IUPAC: 4-fluoro-2-(trifluoromethyl)benzonitrile
영어명: 4-Fluoro-2-trifluoromethylbenzonitrile
분자식: C8H3F4N
분자량: 189.11

이름 및 동의어

4-Fluoro-2-(trifluoromethyl)benzonitrile194853-86-6LCCPQUYXMFXCAC-UHFFFAOYSA-DTXSID80345507RefChem:98950DTXCID80296580642-459-5InChI=1/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3HLCCPQUYXMFXCAC-UHFFFAOYSA-N4-fluoro-2-trifluoromethylbenzonitrile2-trifluoromethyl-4-fluorobenzonitrileMFCD00061283

이름 더 보기

4-Fluoro-2-trifluoro4-Fluoro-2-(Trifluorometà,à,à,4-tetrafluoro-o-tolunitrile4-Fluoro-2-Trimethyl Benzonitrile4 - fluoro - 2-3 Methyl cyanobenzene4-Fluoro-2-trifluotomethylbenzonitrile4-fluoro-2-trifluoromethyl benzenonitrile

4-Fluoro-2-trifluoromethyl-benzonitrile4-Fluoro-2-(trifluoromethyl);benzonitrile2-trifluoromethyl-4-fluoro-benzonitrile4-Fluoro-2-(trifluoromethl)benzonitrile4-fluoro-2-(trifluoromethyl)benzenecarbonitrile2-Cyano-5-fluorobenzotrifluoride4-Fluoro-2-(trifluoromethyl)benzonitrile, AldrichCPR4-Fluoro-2-(trifluoromethyl)-Benzonitrile

데이터베이스 식별자

CAS: 194853-86-6
PubChem CID: 605085
DTXSID: DTXSID80345507
EC Number: 642-459-5
Nikkaji: J256.559E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 43 · 43-45°C
끓는 점: 53 °C · 53°C 15mm
밀도: 1 · 1,35 g/cm3
인화점: 194 · 194-196°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
Specific Gravity: 1.35 · 1.350
수용성: 물에 불용성. 메탄올의 용해도는 거의 투명합니다.
InChI: InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChIKey: LCCPQUYXMFXCAC-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(F)C=C1C(F)(F)F

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.