6-메톡시-M-톨루엔설포닐클로라이드

6-Methoxy-m-toluenesulfonyl chloride

HCID 145149CAS 88040-86-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C)cc1S(=O)(=O)Cl
InChIKey: BJYNYQGJTZULJI-UHFFFAOYSA-N
분자식: C8H9ClO3S
평균 분자량: 220.67 g/mol
단동위원소 질량: 219.99609283

이름 및 식별자

우선 이름: 6-Methoxy-m-toluenesulfonyl chloride
IUPAC: 2-methoxy-5-methylbenzenesulfonyl chloride
현지명: 6-메톡시-M-톨루엔설포닐클로라이드
영어명: 6-METHOXY-M-TOLUENESULFONYL CHLORIDE
분자식: C8H9ClO3S
분자량: 220.67

이름 및 동의어

88040-86-26-Methoxy-m-toluenesulfonyl chlorideDTXSID80236764RefChem:104938DTXCID10159255BJYNYQGJTZULJI-UHFFFAOYSA-N2-Methoxy-5-methylbenzenesulfonyl chloride2-methoxy-5-methylbenzene-1-sulfonyl chlorideMFCD000605522-Methoxy-5-methyl-benzenesulfonyl chlorideBenzenesulfonyl chloride, 2-methoxy-5-methyl-2-methoxy-5-methylbenzene-1-sulfonylchloride

이름 더 보기

6-메톡시-M-톨루엔설포닐클로라이드ASISCHEM D489256-Methyl-m-toluenesulfonyl chloride6-METHOXY-3-TOLUENESULPHONYL CHLORIDEBenzenesulfonyl chloride, 2-methoxy-5-methyl- (9CI)

2-Methoxy-5-methylbenzenesulfonyl chloride #5-methyl-2-(methyloxy)benzenesulfonyl chloridechloro(2-methoxy-5-methylphenyl)sulfoneSCHEMBL739940SBB018165AKOS000200337FS-41562-methoxy-5-methylphenylsulfonyl chloride

데이터베이스 식별자

CAS: 88040-86-2
PubChem CID: 145149
DTXSID: DTXSID80236764
EC Number: 674-122-3

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 82 °C · 82 °C
끓는 점: 329.6 · 329.6±35.0 °C(Predicted)
밀도: 1.326 · 1.326±0.06 g/cm3(Predicted)
저장 조건: Keep Cold

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.