CAS 1285420-82-7 2-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazole (HCID 62377373)

基本情報

CAS: 1285420-82-7
標準SMILES: Fc1ccc2nc(CCl)n(-c3ccccc3)c2c1
InChIKey: DPYHXGSQKNVYKG-UHFFFAOYSA-N
分子式: C14H10ClFN2
平均分子量: 260.69 g/mol

名称と識別子

優先名称: 2-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazole
IUPAC: 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

名称と別名

1285420-82-72-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazoleRefChem:460314853-291-92-Chloromethyl-6-fluoro-1-phenyl-1H-benzoimidazole2-(chloromethyl)-6-fluoro-1-phenylbenzimidazoleSCHEMBL11900840DPYHXGSQKNVYKG-UHFFFAOYSA-NAKOS011663728EN300-252264402-(Chloromethyl)-6-fluoro-1-phenyl-1H-benzo[d]imidazole

データベース識別子

CAS: 1285420-82-7
PubChem CID: 62377373
EC Number: 853-291-9

物性

構造計算による物性

XLogP: 3.6
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 283

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.