4-메톡시-2,6-디메틸벤젠술포닐클로라이드

4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

HCID 15917496CAS 55661-08-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey: FARJAHHRGCAAOY-UHFFFAOYSA-N
분자식: C9H11ClO3S
평균 분자량: 234.7 g/mol
단동위원소 질량: 234.0117431

이름 및 식별자

우선 이름: 4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride
IUPAC: 4-methoxy-2,6-dimethylbenzenesulfonyl chloride
현지명: 4-메톡시-2,6-디메틸벤젠술포닐클로라이드
영어명: 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride
분자식: C9H11ClO3S
분자량: 234.7

이름 및 동의어

55661-08-04-methoxy-2,6-dimethylbenzene-1-sulfonyl chlorideDTXSID10579530RefChem:293766DTXCID40530295875-103-44-methoxy-2,6-dimethylbenzenesulfonyl chloride4-methoxy-2,6-dimethyl-benzenesulfonyl chlorideMFCD002103272,6-Dimethyl-4-methoxybenzenesulphonyl chlorideBenzenesulfonyl chloride, 4-methoxy-2,6-dimethyl-2,6-dimethyl-4-methoxyphenylsulfonyl chloride

이름 더 보기

4-메톡시-2,6-디메틸벤젠술포닐클로라이드4-methoxy-2,6-dimethyl-benzensulfonyl4-Methoxy-2,6-xylenesulfonyl chloride4-Methoxy-2,6-dimethylbenzenesulfonyl4-Methxy-2,6-dimethylbenzenesulfonyl Chloride2,6-Dimethyl-4-methoxybenzenesulfonyl chloride5-methoxy-2,3-dimethylbenzene-1-sulfonyl chloride

4-Methoxy-2,6-dimethylbenzenesulfonylchlorideSCHEMBL152815FARJAHHRGCAAOY-UHFFFAOYSA-NAKOS009208064SB37650AS-31302SY008164DB-072022

데이터베이스 식별자

CAS: 55661-08-0
PubChem CID: 15917496
DTXSID: DTXSID10579530
EC Number: 875-103-4
Nikkaji: J409.377A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 271

물리화학적 성질

끓는 점: 167 · 167-170 °C(Press: 16 Torr)
밀도: 1.285 · 1.285
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.