2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile

HCID 53403618CAS 749928-77-6

기본 정보

표준 SMILES: CC(C)(C#N)c1ccc(Br)cc1F
InChIKey: WPCTXASXKDFYBT-UHFFFAOYSA-N
분자식: C10H9BrFN
평균 분자량: 242.09 g/mol

이름 및 식별자

우선 이름: 2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile
IUPAC: 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile
영어명: 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile
분자식: C10H9BrFN
분자량: 242.0875632

이름 및 동의어

2-(4-BROMO-2-FLUOROPHENYL)-2-METHYLPROPANENITRILE749928-77-6RefChem:456920988-522-3MFCD11846958SCHEMBL308902SCHEMBL30350712WPCTXASXKDFYBT-UHFFFAOYSA-NZEB92877BS-32756DB-312614CS-0212252

이름 더 보기

4-Bromo-2-fluoro-α,α-dimethylbenzeneacetonitrileBenzeneacetonitrile, 4-bromo-2-fluoro-α,α-dimethyl-

EN300-19113324-Bromo-2-fluoro-|A,|A-dimethylbenzeneacetonitrileBenzeneacetonitrile, 4-bromo-2-fluoro-a,a-dimethyl-2-(4-bromo-2-fluoro-phenyl)-2-methyl-propanenitrile2-(4-Bromo-2-fluoro-phenyl)-2-methyl-propionitrile4-Bromo-2-fluoro-alpha,alpha-dimethylbenzeneacetonitrile

데이터베이스 식별자

CAS: 749928-77-6
PubChem CID: 53403618
EC Number: 988-522-3

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 230

물리화학적 성질

끓는 점: 305.2 · 305.2±27.0 °C(Predicted)
밀도: 1.424 · 1.424±0.06 g/cm3(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.