3,5-Dichloro-2-hydroxybenzenesulphonyl chloride

HCID 90078

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23378-88-3
표준 SMILES: O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1O
InChIKey: KXFQRJNVGBIDHA-UHFFFAOYSA-N
분자식: C6H3Cl3O3S
평균 분자량: 261.5 g/mol
단동위원소 질량: 259.886848

이름 및 식별자

우선 이름: 3,5-Dichloro-2-hydroxybenzenesulphonyl chloride
IUPAC: 3,5-dichloro-2-hydroxybenzenesulfonyl chloride
영어명: 3,5-DICHLORO-2-HYDROXYBENZENESULFONYL CHLORIDE
분자식: C6H3Cl3O3S
분자량: 261.51

이름 및 동의어

3,5-Dichloro-2-hydroxybenzenesulfonyl chloride23378-88-33,5-Dichloro-2-hydroxybenzenesulphonyl chlorideEINECS 245-619-9KXFQRJNVGBIDHA-UHFFFAOYSA-DTXSID80177926RefChem:486707DTXCID40100417245-619-9InChI=1/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10HBenzenesulfonyl chloride, 3,5-dichloro-2-hydroxy-3,5-dichloro-2-hydroxybenzene-1-sulfonyl chloride

이름 더 보기

3378-88-32,4-Dichloro-6-(chlorosulfonyl)phenol2,4-DICHLOROPHENOL-6-SULFONYL CHLORIDE2,4-DICHLOROPHENOL-6-SULPHONYL CHLORIDE2 4-DICHLOROPHENOL-6-SULFONYLCHLORIDE 99%3,5-dichloro-2-hydroxy-benzenesulfonylchlorid

MFCD000074323,5-Dichloro-2-hydroxybenzenesulfonylchloride3,5-dichloro-2-hydroxy-benzenesulfonyl chloride35-Dichloro-2-hydroxybenzenesulfonyl chlorideSCHEMBL184213STL183300AKOS015916412FD70372

데이터베이스 식별자

CAS: 23378-88-3
PubChem CID: 90078
DTXSID: DTXSID80177926
EC Number: 245-619-9
Nikkaji: J149.838J

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 273

물리화학적 성질

녹는점: 80 · 80-83 °C (lit.)
끓는 점: 359 · 359.0±42.0 °C(Predicted)
밀도: 1.652 · 1.652 (estimate)
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 가루
산도 계수 (pKa): 4.03 · 4.03±0.50(Predicted)
색상: 라이트 베이지부터 라이트 브라운까지
수용성: 물에서 가수분해됩니다.
BRN: 2940993 · 2940993
InChI: 1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H
InChIKey: KXFQRJNVGBIDHA-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(Cl)cc1S(Cl)(=O)=O

화학적 성질

light beige to light brown powder

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 44 reports by companies from 3 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
ridadr: UN 3261 8/PG 2
HS 번호: 29089990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도3,5-Dichloro-2-hydroxybenzenesulfonyl chloride is used in the synthesis of (1R,2R)-(+)-1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)-1,2-diphenylethane1 and (1R,2R)-(+)- 1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)cyclohexane. It was used as chromogenic system in one-step kinetic method for the determination of 5-nucleotidase.