2-(4-ブロモフェニル)-2-メチルプロパンニトリル

2-(4-Bromophenyl)-2-methylpropanenitrile

HCID 10443591

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 101184-73-0
標準SMILES: CC(C)(C#N)c1ccc(Br)cc1
InChIKey: DABJLFKRJWUXMV-UHFFFAOYSA-N
分子式: C10H10BrN
平均分子量: 224.1 g/mol
単同位体質量: 222.99966142

名称と識別子

優先名称: 2-(4-Bromophenyl)-2-methylpropanenitrile
IUPAC: 2-(4-bromophenyl)-2-methylpropanenitrile
現地名: 2-(4-ブロモフェニル)-2-メチルプロパンニトリル
英語名: 2-(4-Bromophenyl)-2-methylpropanenitrile
分子式: C10H10BrN
分子量: 224.1

名称と別名

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

名称をさらに表示

2-(4-ブロモフェニル)-2-メチルプロパンニトリル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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 193

物理化学的性質

融点: 110 · 110-113
沸点: 299.8 · 299.8±15.0 °C(Predicted)
比重(密度): 1.352 · 1.352±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
CAS データベース: 101184 · 101184-73-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.