CAS 251570-03-3 2-(4-Chloro-3-fluorophenyl)acetonitrile (HCID 3804414)

기본 정보

CAS: 251570-03-3
표준 SMILES: N#CCc1ccc(Cl)c(F)c1
InChIKey: IDBYHCGSWMSFLY-UHFFFAOYSA-N
분자식: C8H5ClFN
평균 분자량: 169.58 g/mol
단동위원소 질량: 169.00945506

이름 및 식별자

우선 이름: 2-(4-Chloro-3-fluorophenyl)acetonitrile
IUPAC: 2-(4-chloro-3-fluorophenyl)acetonitrile
현지명: (4-클로로-3-플루오로-페닐)-아세토니트릴
영어명: (4-Chloro-3-fluoro-phenyl)-acetonitrile
분자식: C8H5ClFN
분자량: 169.58

이름 및 동의어

2-(4-chloro-3-fluorophenyl)acetonitrileRefChem:457219888-951-5251570-03-34-Chloro-3-fluorophenylacetonitrile(4-Chloro-3-fluoro-phenyl)-acetonitrile3-Fluoro-4-chlorobenzyl cyanideBenzeneacetonitrile, 4-chloro-3-fluoro-MFCD041158604-chloro-3-fluorobenzyl cyanide4-chloro-3-fluorobenzylcyanide2-(4-chloro-3-fluoro-phenyl)acetonitrile

이름 더 보기

(4-클로로-3-플루오로-페닐)-아세토니트릴3-FLUORO-4-CHLORO PHENYLACETONITRILE4-CHLORO-3-FLUOROPHHENYLACETONITRILE4-Chloro-3-fluorobenzeneacetonitrile3-Fluoro-4-Chloro Phenylacetonitrile 3-Fluoro-4-Chlorobenzyl Cyanide

2-(4-chloro-3-fluorophenyl)ethanenitrileSCHEMBL192429SCHEMBL30641470DTXSID60396673IDBYHCGSWMSFLY-UHFFFAOYSA-NCK2053SBB064383(4-chloro-3-fluorophenyl)acetonitrile

데이터베이스 식별자

CAS: 251570-03-3
PubChem CID: 3804414
DTXSID: DTXSID60396673
EC Number: 888-951-5

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 253.4 · 253.4±25.0 °C(Predicted)
밀도: 1.286 · 1.286±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 베이지에서 브라운까지

화학적 성질

Pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.