2-(4-Bromophenyl)-2-methylpropanenitrile

HCID 10443591

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 101184-73-0
표준 SMILES: CC(C)(C#N)c1ccc(Br)cc1
InChIKey: DABJLFKRJWUXMV-UHFFFAOYSA-N
분자식: C10H10BrN
평균 분자량: 224.1 g/mol
단동위원소 질량: 222.99966142

이름 및 식별자

우선 이름: 2-(4-Bromophenyl)-2-methylpropanenitrile
IUPAC: 2-(4-bromophenyl)-2-methylpropanenitrile
영어명: 2-(4-Bromophenyl)-2-methylpropanenitrile
분자식: C10H10BrN
분자량: 224.1

이름 및 동의어

2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-0DTXSID90440012RefChem:251998DTXCID20390834802-537-32-(4-Bromophenyl)-2-methylpropionitrileMFCD026842192-(4-bromo-phenyl)-2-methyl-propionitrileBenzeneacetonitrile, 4-bromo-alpha,alpha-dimethyl-SCHEMBL13578AC-5231

이름 더 보기

CHEMBOOKα,α-Dimethyl 4-bromophenylacetonitrileP-Bromo a,a-Dimethyl Phenyl AcetonitrileBenzeneacetonitrile,4-bromo-a,a-dimethyl-272-(4-Bromophenyl)-2-MethylpropionitrileBenzeneacetonitrile, 4-bromo-α,α-dimethyl-2-(4-Bromophenyl)-2-methylpropanenitrile-22-(4-Bromophenyl)-2-methylpropanenitrile 98%

EN300-40981Z4156509422-(4-bromophenyl)-2-methyl-propanenitrileAMY133872-(4-Bromophenyl)-2-methylpropanitrile2-(4-Bromophenyl)-2SBB063458AKOS009358274

데이터베이스 식별자

CAS: 101184-73-0
PubChem CID: 10443591
DTXSID: DTXSID90440012
EC Number: 802-537-3

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 110 · 110-113
끓는 점: 299.8 · 299.8±15.0 °C(Predicted)
밀도: 1.352 · 1.352±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H332 (95%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.