5-Fluoro-2-methoxybenzene-1-sulfonyl chloride

HCID 2783409CAS 67475-56-3

기본 정보

표준 SMILES: COc1ccc(F)cc1S(=O)(=O)Cl
InChIKey: LUEBMKPHZDSPFH-UHFFFAOYSA-N
분자식: C7H6ClFO3S
평균 분자량: 224.64 g/mol
단동위원소 질량: 223.97102095

이름 및 식별자

우선 이름: 5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
IUPAC: 5-fluoro-2-methoxybenzenesulfonyl chloride
영어명: Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI)
분자식: C7H6ClFO3S
분자량: 224.64

이름 및 동의어

5-fluoro-2-methoxybenzene-1-sulfonyl chlorideRefChem:535813833-487-067475-56-35-fluoro-2-methoxybenzenesulfonyl chloride5-fluoro-2-methoxy-benzenesulfonyl ChlorideMFCD036184595-fluoro-2-methoxybenzenesulphonyl chlorideF1967-0095chloro(5-fluoro-2-methoxyphenyl)sulfoneBENZENESULFONYL CHLORIDE, 5-FLUORO-2-METHOXY-SCHEMBL1127669

이름 더 보기

5-fluoro-2-Methoxy- (9CI)2-(Chlorosulphonyl)-4-fluoroanisole2-Methoxy-5-fluorobenzenesulfonylchlorideBenzenesulonyl chloride, 5-fluoro-2-methoxy-(9CI)5-Fluoro-2-methoxybenzene-1-sulfonyl chloride 95%Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI)Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI) ISO 9001：2015 REACH

DTXSID70382643LUEBMKPHZDSPFH-UHFFFAOYSA-NSMSSF-0016519SBB027663AKOS000302964CS-W022379AS-33263SY018251

데이터베이스 식별자

CAS: 67475-56-3
PubChem CID: 2783409
DTXSID: DTXSID70382643
EC Number: 833-487-0

물성

구조 계산 물성

XLogP: 2
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 261

물리화학적 성질

끓는 점: 309.8 · 309.8±27.0 °C(Predicted)
밀도: 1.455 · 1.455±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 크리스탈
색상: 오프 화이트
InChI: InChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(9)4-7(6)13(8,10)11/h2-4H,1H3
InChIKey: LUEBMKPHZDSPFH-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC(F)=CC=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.