4-Fluoro-3-(trifluoromethyl)benzonitrile

HCID 144255CAS 67515-59-7

기본 정보

표준 SMILES: N#Cc1ccc(F)c(C(F)(F)F)c1
InChIKey: CQZQCORFYSSCFY-UHFFFAOYSA-N
분자식: C8H3F4N
평균 분자량: 189.11 g/mol
단동위원소 질량: 189.02016198

이름 및 식별자

우선 이름: 4-Fluoro-3-(trifluoromethyl)benzonitrile
IUPAC: 4-fluoro-3-(trifluoromethyl)benzonitrile
영어명: 4-Fluoro-3-(trifluoromethyl)benzonitrile
분자식: C8H3F4N
분자량: 189.11

이름 및 동의어

4-Fluoro-3-(trifluoromethyl)benzonitrile67515-59-7DTXSID60217859RefChem:98971DTXCID60140350642-616-8CQZQCORFYSSCFY-UHFFFAOYSA-N4-fluoro-3-trifluoromethylbenzonitrile5-cyano-2-fluorobenzotrifluorideMFCD00061284Benzonitrile, 4-fluoro-3-(trifluoromethyl)-AKOS005254945

이름 더 보기

BUTTPARK 45\01-765-cyano-2-fluorotrifluorotolueneà,à,à,4-tetrafluoro-m-tolunitrile4-Fluoro-3-(Trifluromethyl)Benzonitrile4-fluoro-3-trifluoromethylphenylnitrile3-(TRIFLUOROMETHYL)-4-FLUOROBENZONITRILE4-Fluoro-3-(trifluoromethyl)benzonitrile97%

CS-W015971773669-57-1AC-4095PS-8416SY0067454-fluoro-3-(trifluoromethyl)benzenecarbonitrile4-Fluoro-3-trifluoromethyl-benzonitrile4-Fluoro-3-trifluoromethyl benzonitrile

데이터베이스 식별자

CAS: 67515-59-7
PubChem CID: 144255
DTXSID: DTXSID60217859
EC Number: 642-616-8
Nikkaji: J1.675.706C

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 °C · 66 °C
끓는 점: 194 °C · 194°C
밀도: 1 · 1,323 g/cm
인화점: 193 · 193-195°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 물에 불용성.
BRN: 1960344 · 1960344

화학적 성질

Yellow crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.