CAS 67197-54-0 (4-Bromo-2-chlorophenyl)acetonitrile (HCID 58762522)

基本情報

CAS: 67197-54-0
標準SMILES: N#CCc1ccc(Br)cc1Cl
InChIKey: MXZBZBHXAMJWMY-UHFFFAOYSA-N
分子式: C8H5BrClN
平均分子量: 230.49 g/mol
単同位体質量: 228.92939

名称と識別子

優先名称: (4-Bromo-2-chlorophenyl)acetonitrile
IUPAC: 2-(4-bromo-2-chlorophenyl)acetonitrile
英語名: (4-BROMO-2-CHLOROPHENYL)ACETONOTRILE
分子式: C8H5BrClN
分子量: 230.49

名称と別名

67197-54-0(4-bromo-2-chlorophenyl)acetonitrileRefChem:402474863-460-92-(4-Bromo-2-chlorophenyl)acetonitrileMFCD183905894-bromo-2-chlorobenzyl cyanide(4-BROMO-2-CHLOROPHENYL)ACETONOTRILE4-Bromo-2-chlorophenylacetonitrile2-chloro-4-bromophenylacetonitrileSCHEMBL306921SCHEMBL29537704

名称をさらに表示

2-chloro-4-bromophenylethylnitrile4-bromo-2-(trifluoromethoxy)phenylacetonitrile

MXZBZBHXAMJWMY-UHFFFAOYSA-NALBB-030436SCA19754(4-bromo-2-chlorophenyl)-acetonitrileAKOS022190068(4-bromo-2-chloro-phenyl)-acetonitrileBenzeneacetonitrile, 4-bromo-2-chloro-2-(4-bromo-2-chloro-phenyl)acetonitrile

データベース識別子

CAS: 67197-54-0
PubChem CID: 58762522
EC Number: 863-460-9
Nikkaji: J3.561.007C

物性

構造計算による物性

XLogP: 3.1
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: 174

物理化学的性質

沸点: 315.3 · 315.3±27.0 °C(Predicted)
比重(密度): 1.603 · 1.603±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.