1-(4-Bromophenyl)Cyclopropanecarbonitrile

HCID 2795273

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基本情報

CAS: 124276-67-1
標準SMILES: N#CC1(c2ccc(Br)cc2)CC1
InChIKey: BWPZBXQENXGRQV-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-(4-Bromophenyl)Cyclopropanecarbonitrile
IUPAC: 1-(4-bromophenyl)cyclopropane-1-carbonitrile
英語名: 1-(4-Bromophenyl)cyclopropanecarbonitrile, 97
分子式: C10H8BrN
分子量: 222.08

名称と別名

124276-67-11-(4-Bromophenyl)CyclopropanecarbonitrileDTXSID70383610RefChem:224924DTXCID40334634895-321-31-(4-bromophenyl)cyclopropane-1-carbonitrileCYCLOPROPANECARBONITRILE, 1-(4-BROMOPHENYL)-MFCD013143081-(4-Bromo-phenyl)-cyclopropanecarbonitrile1-(4-BROMOPHENYL)CYCLOPROPANECARBONITRILE, 971-(4-Bromophenyl)-1-cyclopropanecarbonitrile

名称をさらに表示

1-(4-Bromophenyl)-1-cyanocyclopropane1-(4-Bromophenyl)cyclopropan-carbonitrile

SCHEMBL23001-(4-BroBWPZBXQENXGRQV-UHFFFAOYSA-NZEA27667AKOS009264550AB08515(4-bromophenyl)-cyclopropanecarbonitrile1-(4-bromophenyl)cyclopropancarbonitrile

データベース識別子

CAS: 124276-67-1
PubChem CID: 2795273
DTXSID: DTXSID70383610
EC Number: 895-321-3
Nikkaji: J2.228.656K

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: 215

物理化学的性質

融点: 82 · 82-84°
沸点: 321.4 · 321.4±35.0 °C(Predicted)
比重(密度): 1.53 · 1.53
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H8BrN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey: BWPZBXQENXGRQV-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Br)C=C2)(C#N)CC1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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)

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.