Benzenesulfonyl chloride, 2,4-dichloro-

HCID 204419CAS 16271-33-3

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(Cl)cc1Cl
InChIKey: FDTPBIKNYWQLAE-UHFFFAOYSA-N
분자식: C6H3Cl3O2S
평균 분자량: 245.5 g/mol
단동위원소 질량: 243.89193338

이름 및 식별자

우선 이름: Benzenesulfonyl chloride, 2,4-dichloro-
IUPAC: 2,4-dichlorobenzenesulfonyl chloride
영어명: 2,4-Dichlorobenzenesulfonyl chloride
분자식: C6H3Cl3O2S
분자량: 245.51

이름 및 동의어

2,4-Dichlorobenzenesulfonyl chloride16271-33-3Benzenesulfonyl chloride, 2,4-dichloro-BRN 2806192DTXSID401674444-11-00-00132 (Beilstein Handbook Reference)RefChem:118097DTXCID0089935FDTPBIKNYWQLAE-UHFFFAOYSA-N2,4-Dichlorobenzene-1-Sulfonyl Chloride2,4-dichloro-benzenesulfonyl chloride2,4-dichlorobenzenesulphonyl chloride

이름 더 보기

BUTTPARK 96\57-472,4-Dichlorobenzenes2,4-dichlorophenylsulfonylchloride2,4-dichloro-benzenesulfonylchlorid2,4-DichlorobenzenesulfonylChloride>2,4-DICHLOROBENZENE-1-SULFONYL CHLORIDE4-(Chlorosulphonyl)-1,3-dichlorobenzene

2,4-DichlorobenzenesulfonylchlorideMFCD00052712(2,4-dichlorophenyl)chlorosulfone2,4-dichlorophenylsulfonyl chloride2,4-DichlorobenzenesulphonylchlorideSCHEMBL444929orb1985116SCHEMBL29519358

데이터베이스 식별자

CAS: 16271-33-3
PubChem CID: 204419
DTXSID: DTXSID40167444
EC Number: 628-025-8
Nikkaji: J41.351H

물성

구조 계산 물성

XLogP: 3
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: 55 · 55-58 °C (lit.)
끓는 점: 114 · 114-115°C/0.1mm
밀도: 1.636 · 1.636±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
색상: 흰색~밝은 베이지
BRN: 2806192 · 2806192
안정성: 수분에 민감한
InChI: 1S/C6H3Cl3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKey: FDTPBIKNYWQLAE-UHFFFAOYSA-N
SMILES: Clc1ccc(c(Cl)c1)S(Cl)(=O)=O
NIST: 2 · Benzenesulfonyl chloride, 2,4-dichloro-(16271-33-3)

화학적 성질

white to light beige crystalline powder

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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
rtecs: DB8927500
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,4-Dichlorobenzenesulfonyl chloride may be used in the preparation of 2,4-dichlorothiophenol.

일반 설명2,4-Dichlorobenzenesulfonyl chloride, also known as 2,4-dichlorophenylsulfonyl chloride, is an aryl sulfonyl chloride derivative. It participates in the synthesis of hexahydropyrazino[1,2-a]pyrimidine derivatives.