2,5-다이클로로티오펜-3-설포닐클로라이드

2,5-Dichlorothiophene-3-sulfonyl chloride

HCID 2736094CAS 56946-83-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cc(Cl)sc1Cl
InChIKey: JJKSHSHZJOWSEC-UHFFFAOYSA-N
분자식: C4HCl3O2S2
평균 분자량: 251.5 g/mol
단동위원소 질량: 249.84835431

이름 및 식별자

우선 이름: 2,5-Dichlorothiophene-3-sulfonyl chloride
IUPAC: 2,5-dichlorothiophene-3-sulfonyl chloride
현지명: 2,5-다이클로로티오펜-3-설포닐클로라이드
영어명: 2,5-Dichlorothiophene-3-sulfonyl chloride
분자식: C4HCl3O2S2
분자량: 251.54

이름 및 동의어

2,5-Dichlorothiophene-3-sulfonyl chloride56946-83-92,5-DICHLOROTHIOPHENE-3-SULPHONYL CHLORIDEDTXSID20371123RefChem:82820DTXCID40322157625-984-4JJKSHSHZJOWSEC-UHFFFAOYSA-N3-Thiophenesulfonyl chloride, 2,5-dichloro-2,5-Dichlorothiophene-3-sulfonylchlorideC4HCl3O2S2MFCD00051665

이름 더 보기

2,5-다이클로로티오펜-3-설포닐클로라이드AKOS 93404BUTTPARK 27\06-192,5-Dichlorothiophene-3-sulfonylhloride3-THIOPHENESULFONYLCHLORIDE,2,5-DICHLORO2,5-DICHLOROTHIOPHENE-3-SULFONYL CHLORID3-(Chlorosulphonyl)-2,5-dichlorothiophene2,5-DICHLORO-3-THIOPHENE SULFONER CHLORIDE2,5-DICHLORO-3-THIOPHENE SULFONYL CHLORIDE2,5-Dichloro-3-Thiophene Sulfonel Chloride

SCHEMBL3880322,5-dichloro-3-thiophenesulfonyl chloride2,5-Dichlorothiophene-3-sulfonic acid chlorideF16070A8312492,5-dichlorothien-3-yl-sulfSBB066539AKOS000122858

데이터베이스 식별자

CAS: 56946-83-9
PubChem CID: 2736094
DTXSID: DTXSID20371123
EC Number: 625-984-4
Nikkaji: J364.702A

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: 130 °C · 130 °C
끓는 점: 256 · 256-257 °C (lit.)
밀도: 1.697 g/mL · 1.697 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.595(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
BRN: 1285315 · 1285315
InChI: 1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
InChIKey: JJKSHSHZJOWSEC-UHFFFAOYSA-N
SMILES: Clc1cc(c(Cl)s1)S(Cl)(=O)=O

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 1760 8/PG 3
HS 번호: 29349990
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2,5-Dichlorothiophene-3-sulfonyl chloride may be used in the preparation of:1-[(2,5-dichloro-3-thienyl)sulfonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide6-chloro-3-isopropylamino-4H-thieno[2,3-e]-1,2,4-thiadiazine 1,1-dioxide6-fluoro-3-methyl-4-(2,5-dichlorothiophene-3-sulfonyl)-3,4-dihydroquinoxalin-2-(1H)-one

일반 설명2,5-Dichlorothiophene-3-sulfonyl chloride is an heteroaryl sulfonyl chloride derivative.