2-Chlorocyclohex-1-ene-1-carbonitrile

HCID 49840939

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 119205-37-7
標準SMILES: N#CC1=C(Cl)CCCC1
InChIKey: AFMPUGDGNQTHOQ-UHFFFAOYSA-N
分子式: C7H8ClN
平均分子量: 141.6 g/mol
単同位体質量: 141.034527

名称と識別子

優先名称: 2-Chlorocyclohex-1-ene-1-carbonitrile
IUPAC: 2-chlorocyclohexene-1-carbonitrile
英語名: 2-chlorocyclohex-1-enecarbonitrile
分子式: C7H8ClN
分子量: 141.6

名称と別名

2-chlorocyclohex-1-ene-1-carbonitrile119205-37-7RefChem:470405996-254-32-Chlorocyclohex-1-enecarbonitrile2-chlorocyclohexene-1-carbonitrileMFCD11502628SCHEMBL119984AFMPUGDGNQTHOQ-UHFFFAOYSA-NUEA205372-Chloro-cyclohex-1-enecarbonitrile2-chloro-1-cyclohexene-1-carbonitrile

名称をさらに表示

1-Cyclohexene-1-carbonitrile, 2-chloro-

AKOS026727969AS-37225CS-0217780EN300-84516F539298Z1251189979

データベース識別子

CAS: 119205-37-7
PubChem CID: 49840939
EC Number: 996-254-3

物性

構造計算による物性

XLogP: 2.1
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: 0
重原子数: 9
形式電荷: 0
複雑度: 184

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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.