2-メチル-2-フェニルプロパンニトリル

2-Methyl-2-phenylpropanenitrile

HCID 2797591

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基本情報

CAS: 1195-98-8
標準SMILES: CC(C)(C#N)c1ccccc1
InChIKey: PGQTYXFMSZUGOW-UHFFFAOYSA-N
分子式: C10H11N
平均分子量: 145.2 g/mol
単同位体質量: 145.08914935

名称と識別子

優先名称: 2-Methyl-2-phenylpropanenitrile
IUPAC: 2-methyl-2-phenylpropanenitrile
現地名: 2-メチル-2-フェニルプロパンニトリル
英語名: 2-Methyl-2-phenylpropanenitrile
分子式: C10H11N
分子量: 145.2

名称と別名

2-methyl-2-phenylpropanenitrile1195-98-8DTXSID80383929RefChem:475193DTXCID00334953601-624-1MFCD00099614benzeneacetonitrile, alpha,alpha-dimethyl-2-methyl-2-phenyl-propionitrile2-methyl-2-phenyl-propanenitrilephenylisobutyronitrileZINC02144346

名称をさらに表示

2-メチル-2-フェニルプロパンニトリルLoxoprofen Impurity 19alpha-PhenylisobutyronitrileA,A-DIMETHYLPHENYLACETONITRILEBenzeneacetonitrile, α,α-dimethyl-alpha-Phenyl-alpha-methylpropionitrile

alpha,alpha-DimethylbenzeneacetonitrileBenzeneacetonitrile, |A,|A-dimethyl-Loxoprofen Impurity N52-PhenylisobutyronitriledimethylphenylacetonitrileSCHEMBL230672SCHEMBL6647592-Methyl-2-phenylpropionitrile

データベース識別子

CAS: 1195-98-8
PubChem CID: 2797591
DTXSID: DTXSID80383929
EC Number: 601-624-1
Nikkaji: J486.544H

物性

構造計算による物性

XLogP: 2.5
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: 11
形式電荷: 0
複雑度: 167

物理化学的性質

沸点: 60 °C · 60 °C
比重(密度): 0.971 · 0.971±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明～黄色

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.