2,4,5-Trichlorobenzenesulfonyl chloride

HCID 27575CAS 15945-07-0

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
분자식: C6H2Cl4O2S
평균 분자량: 280 g/mol
단동위원소 질량: 277.852961

이름 및 식별자

우선 이름: 2,4,5-Trichlorobenzenesulfonyl chloride
IUPAC: 2,4,5-trichlorobenzenesulfonyl chloride
영어명: 2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE
분자식: C6H2Cl4O2S
분자량: 279.96

이름 및 동의어

15945-07-02,4,5-TRICHLOROBENZENESULFONYL CHLORIDEBenzenesulfonyl chloride, 2,4,5-trichloro-UNII-7GD5283XIX7GD5283XIXEINECS 240-079-0NSC 269582,4,5-trichlorophenylsulfonyl chlorideNSC-26958DTXSID1065974RefChem:82005DTXCID9035129

이름 더 보기

AKOS 213-162,4,5-trichlorobenzensulfonyl chloride2,4,5-trichloro-benzenesulfonylchlorid2,4,5-THRICHLOROBENZENESULFONYL CHLORIDE1-(Chlorosulphonyl)-2,4,5-trichlorobenzene2,4,5-Trichlorobenzenesulfonyl chloride,97%

240-079-0WNVVRCKTQSCPAC-UHFFFAOYSA-N2,4,5-trichlorobenzene-1-sulfonyl chlorideMFCD000074282,4,5-Trichlorobenzenesulphonyl chlorideNSC26958SCHEMBL534192orb1741354

데이터베이스 식별자

CAS: 15945-07-0
PubChem CID: 27575
DTXSID: DTXSID1065974
UNII: 7GD5283XIX
EC Number: 240-079-0
Nikkaji: J150.762A

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 273

물리화학적 성질

녹는점: 65 · 65-69 °C
끓는 점: 138 °C · 138 °C(Press: 0.5 Torr)
밀도: 1.728 · 1.728±0.06 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1112595 · 1112595
InChI: 1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)c(cc1Cl)S(Cl)(=O)=O
EPA: 2 · Benzenesulfonyl chloride, 2,4,5-trichloro- (15945-07-0)

화학적 성질

White or cream solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3261
HS 번호: 29049095
risk_code: 34-14
hazard_code: C
safety_code: 26-27-36/37/39-8-45
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

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 2,4,5-trichloro-: INACTIVE

응용 분야

용도2,4,5-Trichloro-benzenesulfonyl chloride is a useful building block for organic synthesis.

제조 방법

생산 방법2,4,5-TrichlorobenzenesulfonylChloride is obtained from trichlorobenzene by chlorosulfonation with chlorosulfuric acid at 90 ℃ and pouring the reaction mass into water.