2-FLUORO-3-(트리플루오로메틸)벤조니트릴

2-Fluoro-3-(trifluoromethyl)benzonitrile

HCID 518974CAS 146070-35-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1cccc(C(F)(F)F)c1F
InChIKey: NMWOWGXPPBIZNH-UHFFFAOYSA-N
분자식: C8H3F4N
평균 분자량: 189.11 g/mol
단동위원소 질량: 189.02016198

이름 및 식별자

우선 이름: 2-Fluoro-3-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-3-(trifluoromethyl)benzonitrile
현지명: 2-FLUORO-3-(트리플루오로메틸)벤조니트릴
영어명: 2-Fluoro-3-(trifluoromethyl)benzonitrile
분자식: C8H3F4N
분자량: 189.11

이름 및 동의어

2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-1DTXSID00333860.alpha.,.alpha.,.alpha.,2-Tetrafluoro-m-tolunitrilealpha,alpha,alpha,2-Tetrafluoro-m-tolunitrileRefChem:87051DTXCID10284950624-043-5NMWOWGXPPBIZNH-UHFFFAOYSA-N2-fluoro-3-trifluoromethylbenzonitrile3-Cyano-2-fluorobenzotrifluorideMFCD00061152

이름 더 보기

2-FLUORO-3-(트리플루오로메틸)벤조니트릴α,α,α,2-tetrafluoro-m-tolunitrileà,à,à,2-tetrafluoro-m-tolunitrile2-Fluoro-3-(trifluoromethyl)benzonitrile97%2-Fluoro-3-(trifluoromethyl)benzonitrile 97%3-Cyano-2-fluorobenzotrifluoride~alpha,alpha,alpha,2-Tetrafluoro-m-tolunitrile

Benzonitrile, 2-fluoro-3-(trifluoromethyl)-PS-8424CS-01279612-Fluoro-3-(trifluoromethyl)benzonitrile, 98%2-fluoro-3-(trifluoromethyl)benzenecarbonitrileAMY2975BUTTPARK 45\01-75AS02761

데이터베이스 식별자

CAS: 146070-35-1
PubChem CID: 518974
DTXSID: DTXSID00333860
EC Number: 624-043-5
Nikkaji: J1.130.612H

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: 66 · 66-69C
끓는 점: 194 C · 194C
밀도: 1.323 g/mL · 1.323 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4495(lit.)
인화점: 186 °F · 186 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 8313146 · 8313146
InChI: 1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChIKey: NMWOWGXPPBIZNH-UHFFFAOYSA-N
SMILES: Fc1c(cccc1C(F)(F)F)C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids