CAS 39545-30-7 (3-Chlorophenyl)methyl chloroformate (HCID 13292923)

기본 정보

CAS: 39545-30-7
표준 SMILES: O=C(Cl)OCc1cccc(Cl)c1
InChIKey: ABNOKJAUAHDRQI-UHFFFAOYSA-N
분자식: C8H6Cl2O2
평균 분자량: 205.03 g/mol

이름 및 식별자

우선 이름: (3-Chlorophenyl)methyl chloroformate
IUPAC: (3-chlorophenyl)methyl carbonochloridate

이름 및 동의어

(3-chlorophenyl)methyl chloroformate39545-30-7RefChem:400106845-353-93-chlorobenzyl carbonochloridate(3-chlorophenyl)methyl carbonochloridate3-Chlorobenzyl ChloroformateSCHEMBL134801ABNOKJAUAHDRQI-UHFFFAOYSA-N(3-chlorophenyl)methylchloroformateAKOS020226196EN300-221614

데이터베이스 식별자

CAS: 39545-30-7
PubChem CID: 13292923
EC Number: 845-353-9

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.