1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile

HCID 10857134CAS 84467-19-6

基本情報

標準SMILES: N#CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIKey: CTKUIZGFDSJHPY-UHFFFAOYSA-N
分子式: C11H9Cl2N
平均分子量: 226.1 g/mol
単同位体質量: 225.0112047

名称と識別子

優先名称: 1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile
IUPAC: 1-(3,4-dichlorophenyl)cyclobutane-1-carbonitrile
英語名: 1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile
分子式: C11H9Cl2N
分子量: 226.1

名称と別名

84467-19-61-(3,4-dichlorophenyl)-1-cyclobutane-carbonitrileRefChem:422766632-890-71-(3,4-dichlorophenyl)cyclobutanecarbonitrile1-(3,4-Dichlorophenyl)-1-cyclobutanecarbonitrileMFCD097434441-(3,4-dichlorophenyl)cyclobutane-1-carbonitrileCTKUIZGFDSJHPY-UHFFFAOYSA-NAKOS009343568AB90509AC-30065

名称をさらに表示

1-(3,4-dichlorophenyl)cyclobutanemethylnitrile

CS-12507SY060469DB-353895CS-00386101-(3,4-dichlorophenyl)cyclobutane carbonitrile1-(3,4-dichlorophenyl) -cyclobutanecarbonitrileEN300-1981240Cyclobutanecarbonitrile, 1-(3,4-dichlorophenyl)-

データベース識別子

CAS: 84467-19-6
PubChem CID: 10857134
EC Number: 632-890-7

物性

構造計算による物性

XLogP: 3.7
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: 14
形式電荷: 0
複雑度: 264

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile is an intermediate in the synthesis of Chloro-sibutramine hydrochloride (C370150) which is a reagent used in the preparation of substituted cyclobutanes and their pharmaceutical compositions with antidepressant activity.