CAS 59621-76-0 4-(4-Chlorophenoxy)benzenethiol (HCID 18510459)

基本情報

CAS: 59621-76-0
標準SMILES: Sc1ccc(Oc2ccc(Cl)cc2)cc1
InChIKey: AFXSLKKTDUYDIR-UHFFFAOYSA-N
分子式: C12H9ClOS
平均分子量: 236.72 g/mol
単同位体質量: 236.00626359

名称と識別子

優先名称: 4-(4-Chlorophenoxy)benzenethiol
IUPAC: 4-(4-chlorophenoxy)benzenethiol
英語名: 4-(4-Chloro-phenoxy)-benzenethiol
分子式: C12H9ClOS
分子量: 236.72

名称と別名

4-(4-Chlorophenoxy)benzenethiolRefChem:514059633-121-859621-76-04-(4-CHLORO-PHENOXY)-BENZENETHIOLC12H9ClOSMFCD041143454-(4-chlorophenoxy)benzene-1-thiol4-(4-Chlorophenoxy)benzenethiol, 59621-76-0, 4-(4-CHLORO-PHENOXY)-BENZENETHIOL, AGN-PC-01X7JU, SureCN2408044, CTK5B0211, MolPort-016-579-564, Benzenethiol, 4-(4-chlorophenoxy)-, ZINC36532984, AKOS016009897, AB18101, AG-G-12596, AK112853, KB-2382314-(4-chlorophenoxy)thiophenolSCHEMBL2408044DTXSID20594299

名称をさらに表示

2,4-Dichloro-6-fluoroiodobenzeneBenzenethiol, 4-(4-chlorophenoxy)-

AFXSLKKTDUYDIR-UHFFFAOYSA-NAKOS016009897AB18101CS-0340968F736407

データベース識別子

CAS: 59621-76-0
PubChem CID: 18510459
DTXSID: DTXSID20594299
EC Number: 633-121-8

物性

構造計算による物性

XLogP: 3.5
極性表面積: 10.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 184

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.