2,5-Dichlorobenzenesulfonyl chloride (HCID 79401)

이름 및 식별자

우선 이름: 2,5-Dichlorobenzenesulfonyl chloride
IUPAC: 2,5-dichlorobenzenesulfonyl chloride
영어명: 2,5-Dichlorobenzenesulfonyl chloride
분자식: C6H3Cl3O2S
분자량: 245.51

이름 및 동의어

2,5-Dichlorobenzenesulfonyl chloride5402-73-32,5-Dichlorobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 2,5-dichloro-2,5-Dichlorobenzenesulphonyl chloride2,5-dichlorobenzenesulfonylchlorideMFCD000074292,5-dichloro-benzenesulfonyl chlorideB9L46SY33BNSC-8545(2,5-dichlorophenyl)chlorosulfoneNSC 8545

이름 더 보기

2,5-dichloro-benzenesulfonylchlorid2,5-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 2,5-dichloro-2,5-Dichlorobenzenesulphonyl chloride 98%2,5-DICHLOROBENZENESULFONYL CHLORIDE, 98 %2,5-Dichlorobenzenesulfonyl chloride, 98% 25GR

EINECS 226-453-6AI3-62580UNII-B9L46SY33BSCHEMBL198172DTXSID7063841SCHEMBL29386495BXCOSWRSIISQSL-UHFFFAOYSA-NSC8545

데이터베이스 식별자

CAS: 5402-73-3
PubChem CID: 79401
DTXSID: DTXSID7063841
UNII: B9L46SY33B
EC Number: 226-453-6
Nikkaji: J28.773C

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

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionOff-white powder; mp = 36-37 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 36 · 36-37 °C(lit.)
끓는 점: 253 °C · 253°C (estimate)
밀도: 1.608 · 1.608 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, DMSO 에 용해됨
물리적 상태: 고체
색상: 미색부터 페일 베이지까지
BRN: 2369410 · 2369410
InChI: 1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey: BXCOSWRSIISQSL-UHFFFAOYSA-N
SMILES: Clc1ccc(Cl)c(c1)S(Cl)(=O)=O
EPA: 2 · Benzenesulfonyl chloride, 2,5-dichloro- (5402-73-3)

화학적 성질

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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

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

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 2,5-dichloro-: INACTIVE

응용 분야

용도2,5-Dichlorobenzenesulfonyl Chloride is used in the synthesis of sulfonamide derivatives that show antibacterial activity. It has been described as a modifier for Nylon 6.

제조 방법

생산 방법2,5-Dichlorobenzenesulfonyl Chloride is made by treating 1,4-dichlorobenzene with chlorosulfuric acid at 150 ℃ and stirring into ice water; yield 85%