2-Chlorobenzyl mercaptan

HCID 580759CAS 39718-00-8

기본 정보

표준 SMILES: SCc1ccccc1Cl
InChIKey: WWFIIZLHSNBNTC-UHFFFAOYSA-N
분자식: C7H7ClS
평균 분자량: 158.65 g/mol
단동위원소 질량: 157.9956989

이름 및 식별자

우선 이름: 2-Chlorobenzyl mercaptan
IUPAC: (2-chlorophenyl)methanethiol

이름 및 동의어

2-Chlorobenzyl mercaptanRefChem:47039439718-00-82-Chlorobenzenemethanethiol(2-Chlorophenyl)methanethiol2-Chlorobenzylmercaptan2-Chloro benzyl mercaptanMFCD00004868CHEMBL1224556Benzenemethanethiol, 2-chloro-2-chlorobenzylthiolo-chlorobenzylmercaptan

이름 더 보기

2-chlorophenylmethanethiol2-chlorophenyl-methanethiolSCHEMBL646102SCHEMBL1145808(2-Chlorophenyl)methanethiol #(2-chlorophenyl)methane-1-thiol2-Chlorobenzenemethanethiol, 98%DTXSID601380267

데이터베이스 식별자

CAS: 39718-00-8
PubChem CID: 580759
DTXSID: DTXSID601380267
ChEMBL: CHEMBL1224556
EC Number: 254-602-5
Nikkaji: J236.253H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.