P-(메틸포닐)벤질염화물

1-(Chloromethyl)-4-methanesulfonylbenzene

HCID 123530CAS 40517-43-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(CCl)cc1
InChIKey: LXPRVXKHIXWBJZ-UHFFFAOYSA-N
분자식: C8H9ClO2S
평균 분자량: 204.67 g/mol
단동위원소 질량: 204.00117821

이름 및 식별자

우선 이름: 1-(Chloromethyl)-4-methanesulfonylbenzene
IUPAC: 1-(chloromethyl)-4-methylsulfonylbenzene
현지명: P-(메틸포닐)벤질염화물
영어명: P-(METHYLSULFONYL)BENZYL CHLORIDE
분자식: C8H9ClO2S
분자량: 204.67

이름 및 동의어

1-(chloromethyl)-4-methanesulfonylbenzeneRefChem:427498674-097-940517-43-91-(Chloromethyl)-4-(methylsulfonyl)benzene4-(methylsulfonyl)benzyl chloridep-(Methylsulfonyl)benzyl chloride1-(chloromethyl)-4-methylsulfonylbenzeneMFCD00079774p-Methylsulfonylbenzyl chloride4-methylsulfonylbenzyl chloride4-(methylsulfonyl)benzylchloride

이름 더 보기

P-(메틸포닐)벤질염화물1-CHLOROMETHYL-4-METHANESULFONYL-BENZENE

1-(chloromethyl)-4-methylsulfonyl-benzeneBenzene, 1-(chloromethyl)-4-(methylsulfonyl)-p-methylsufonylbenzyl chlorideSCHEMBL3985704-methanesulfonylbenzyl chloridep- methylsulfonylbenzyl chloridealpha-BromomethylparatolylsulfoneDTXSID10960924

데이터베이스 식별자

CAS: 40517-43-9、53606-06-7
PubChem CID: 123530
DTXSID: DTXSID10960924
EC Number: 674-097-9
Nikkaji: J3.683.175H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 78 · 78-80°C
끓는 점: 190 · 190-210 °C(Press: 11.5 Torr)
밀도: 1.287 · 1.287
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.