CAS 124276-83-1 1-(3-Bromophenyl)cyclopropane-1-carbonitrile (HCID 20026178)

基本情報

CAS: 124276-83-1
標準SMILES: N#CC1(c2cccc(Br)c2)CC1
InChIKey: VHNBUFCWKWBTIZ-UHFFFAOYSA-N
分子式: C10H8BrN
平均分子量: 222.08 g/mol
単同位体質量: 220.98401136

名称と識別子

優先名称: 1-(3-Bromophenyl)cyclopropane-1-carbonitrile
IUPAC: 1-(3-bromophenyl)cyclopropane-1-carbonitrile
英語名: 1-(3-Bromo-phenyl)-cyclopropanecarbonitrile
分子式: C10H8BrN
分子量: 222.08

名称と別名

124276-83-11-(3-BROMOPHENYL)CYCLOPROPANE-1-CARBONITRILEDTXSID00601778RefChem:224225DTXCID60552535973-646-21-(3-Bromophenyl)cyclopropanecarbonitrileCyclopropanecarbonitrile, 1-(3-bromophenyl)-MFCD073744141-(3-BROMO-PHENYL)-CYCLOPROPANECARBONITRILESCHEMBL3206919VHNBUFCWKWBTIZ-UHFFFAOYS

名称をさらに表示

1-(3-Bromophenyl)cyclopropane1-(3-Bromophenyl)-1-cyanocyclopropane

VHNBUFCWKWBTIZ-UHFFFAOYSA-NAKOS009375379AB39402SY046145TS-031771-(3-bromo-phenyl)-1-cyclopropane-nitrilDB-062234CS-0030392

データベース識別子

CAS: 124276-83-1
PubChem CID: 20026178
DTXSID: DTXSID00601778
EC Number: 973-646-2

物性

構造計算による物性

XLogP: 2.6
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: 223

物理化学的性質

沸点: 334.3 · 334.3±35.0 °C(Predicted)
比重(密度): 1.53 · 1.53±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
外見: solid
InChI: InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKey: VHNBUFCWKWBTIZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC(Br)=C2)(C#N)CC1

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.