Benzenesulfonyl chloride, 3,4-dichloro-

HCID 7383CAS 98-31-7

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1
InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N
분자식: C6H3Cl3O2S
평균 분자량: 245.5 g/mol
단동위원소 질량: 243.89193338

이름 및 식별자

우선 이름: Benzenesulfonyl chloride, 3,4-dichloro-
IUPAC: 3,4-dichlorobenzenesulfonyl chloride
영어명: 3,4-DICHLOROBENZENESULFONYL CHLORIDE
분자식: C6H3Cl3O2S
분자량: 245.51

이름 및 동의어

3,4-DICHLOROBENZENESULFONYL CHLORIDE98-31-7Benzenesulfonyl chloride, 3,4-dichloro-AI3-19279NSC 2651EINECS 202-656-53,4-dichlorobenzene-sulfonyl chlorideDTXSID5059165RefChem:118100DTXCID8049048NYIBPWGZGSXURD-UHFFFAOYSA-N3,4-Dichlorobenzene-1-Sulfonyl Chloride

이름 더 보기

3,4-DICHLOROBENZENES3,4-dichloro-benzenesulfonylchlorid3,4-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,4-dichloro-3,4-Dichlorobenzenesulfonyl chloride,98%3,4-Dichlorobenzenesulfonic acid chloride

3,4-Dichlorobenzenesulphonyl chloride3,4-Dichlorophenylsulfonyl chloride3,4-dichlorobenzenesulfonylchlorideMFCD000412553,4-dichloro-benzenesulfonyl chlorideNSC-2651(3,4-dichlorophenyl)chlorosulfone3,4-dichloro benzene sulfonyl chloride

데이터베이스 식별자

CAS: 98-31-7
PubChem CID: 7383
DTXSID: DTXSID5059165
UNII: AX3AD43WDD
EC Number: 202-656-5
Nikkaji: J134.695D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 246

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 20 · 20-22°C
끓는 점: 253 °C · 253 °C(lit.)
밀도: 1.572 g/mL · 1.572 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.589(lit.)
인화점: 135 °F · 135 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Almost white or Almost colorless
BRN: 1956417 · 1956417
InChI: 1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)S(Cl)(=O)=O
EPA: 3 · Benzenesulfonyl chloride, 3,4-dichloro- (98-31-7)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (83.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 3,4-dichloro-: INACTIVE

응용 분야

개요3,4-Dichlorobenzenesulfonyl Chloride, fp 22.4℃, is manufactured from o-dichlorobenzene and chlorosulfuric acid; used as an inexpensive acylating agent.

용도3,4-Dichloro-benzenesulfonyl Chloride is a useful reagent for organic synthesis.