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

HCID 53403618

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基本情報

CAS: 749928-77-6
標準SMILES: CC(C)(C#N)c1ccc(Br)cc1F
InChIKey: WPCTXASXKDFYBT-UHFFFAOYSA-N
分子式: C10H9BrFN
平均分子量: 242.09 g/mol

名称と識別子

優先名称: 2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile
IUPAC: 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile
英語名: 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile
分子式: C10H9BrFN
分子量: 242.0875632

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
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: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 230

物理化学的性質

沸点: 305.2 · 305.2±27.0 °C(Predicted)
比重(密度): 1.424 · 1.424±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.