4-클로로벤젠설포닐 염화물
4-Chlorobenzenesulfonyl chloride
기본 정보
- CAS
98-60-2- 표준 SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1- InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N- 분자식
- C6H4Cl2O2S
- 평균 분자량
- 211.06 g/mol
- 단동위원소 질량
- 209.9309059
이름 및 식별자
- 우선 이름
- 4-Chlorobenzenesulfonyl chloride
- IUPAC
- 4-chlorobenzenesulfonyl chloride
- 현지명
- 4-클로로벤젠설포닐 염화물
- 영어명
- 4-Chlorobenzenesulfonyl chloride
- 분자식
- C6H4Cl2O2S
- 분자량
- 211.07
이름 및 동의어
4-Chlorobenzenesulfonyl chloride98-60-24-chlorobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-chloro-4-CHLOROPHENYLSULFONYL CHLORIDEHSDB 5318p-ChlorobenzenesulfochlorideNSC 6956EINECS 202-685-3BRN 0511583UNII-H55O3362D6pChlorbenzensulfochlorid
이름 더 보기
4-클로로벤젠설포닐염화물4-클로로벤젠설포닐염화물4-클로로벤젠설포닐클로라이드CHLOROBENZENESULFONYL CHLORIDE4-Chlorobenzene4-Chlorobenzenesulfop-Chlorbenzensulfochlorid4-Chlorophenylchloro sulfonep-Chlorobenzenesulfonylchlorip-chlorophenylsulfonylchloride4-chloro-benzenesulfonylchlorid
ZLYBFBAHAQEEQQ-UHFFFAOYSA-NSC-6956pChlorophenylsulfonyl chloridepChlorobenzenesulfonyl chlorideDTXSID4059174Benzenesulfonyl chloride, pchloroChlorid kyseliny pchlorbensulfonoveEC 202-685-3
데이터베이스 식별자
- CAS
98-60-2- PubChem CID
- 7398
- DTXSID
DTXSID4059174- UNII
- H55O3362D6
- EC Number
- 202-685-3
- Nikkaji
- J16.838F
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 211
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesCrystal structure
Color/FormPRISMS OR PLATES FROM ETHER
SolubilityVERY SOL IN ETHER & BENZENE
Boiling Point141 °C @ 15 MM HG
Melting Point55 °C
Vapor Pressure0.00117 [mmHg]
Physical DescriptionWhite solid; [CHEMINFO]
Other Experimental PropertiesDECOMP IN HOT WATER & HOT ALCOHOL
물리화학적 성질
- 녹는점
- 50 · 50-52 °C (lit.)
- 끓는 점
- 141 °C/15 · 141 °C/15 mmHg (lit.)
- 밀도
- 1.5075 · 1.5075 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 4-chlorobenzenesulphonyl chloride (EC: 202-685-3)
4-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Decomposes in water; A severe eye and moderate skin irritant based on animal studies; [CHEMINFO] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DB8925000
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29049020
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonyl chloride, 4-chloro-: ACTIVE
응용 분야
용도4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
제조 방법
생산 방법4-Chlorobenzenesulfonyl chloride is manufactured by mixing 4-chlorobenzene and chlorosulfuric acid at 35 ℃, heating for two hours at 80 ℃, and discharging the contents of the reactor into ice water; yield 81% of theory, together with a small amount of bis(4-chlorophenyl) sulfone.
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