2,3-디클로로티오펜-5-술포닐클로라이드

4,5-Dichlorothiophene-2-sulfonyl chloride

HCID 518622CAS 126714-85-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cc(Cl)c(Cl)s1
InChIKey: IVTWLTRKVRJPNG-UHFFFAOYSA-N
분자식: C4HCl3O2S2
평균 분자량: 251.5 g/mol
단동위원소 질량: 249.84835431

이름 및 식별자

우선 이름: 4,5-Dichlorothiophene-2-sulfonyl chloride
IUPAC: 4,5-dichlorothiophene-2-sulfonyl chloride
현지명: 2,3-디클로로티오펜-5-술포닐클로라이드
영어명: 2,3-Dichlorothiophene-5-sulphonyl chloride
분자식: C4HCl3O2S2
분자량: 251.54

이름 및 동의어

126714-85-04,5-Dichlorothiophene-2-sulfonyl chlorideDTXSID50333794RefChem:507699DTXCID60284884623-936-72,3-Dichlorothiophene-5-sulfonyl chloride2,3-Dichlorothiophene-5-sulphonyl chloride2-Thiophenesulfonyl chloride, 4,5-dichloro-MFCD000520924,5-Dichloro-2-thiophenesulfonyl chlorideSCHEMBL742144

이름 더 보기

2,3-디클로로티오펜-5-술포닐클로라이드2,3-Dichlorothiophen4,5-Dichlorothiophene-2-sulfonylchloride2,3-DICHLOROTHIOPHENE-5-SULFONYL CHLORI&4,5-Dichlorothiophene-2-sulfonyl chloride 97%

SBB066374AKOS005206788AT16660(4,5-dichloro(2-thienyl))chlorosulfone2,3-dichlorothiophene-5-sulfonylchloride4,5-dichloro-thiophene-2-sulfonyl chloride4,5-dichlorothiophene-2-sulphonyl chlorideDB-019727

데이터베이스 식별자

CAS: 126714-85-0
PubChem CID: 518622
DTXSID: DTXSID50333794
EC Number: 623-936-7
Nikkaji: J2.896.484F

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 234

물리화학적 성질

녹는점: 54 · 54-58 °C (lit.)
끓는 점: 338.7 · 338.7±42.0 °C(Predicted)
밀도: 1.803 · 1.803±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
BRN: 161983 · 161983
InChI: 1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKey: IVTWLTRKVRJPNG-UHFFFAOYSA-N
SMILES: Clc1cc(sc1Cl)S(Cl)(=O)=O
NIST: 2 · 2,3-Dichlorothiophene-5-sulfonyl chloride(126714-85-0)

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory.