기본 정보
- 표준 SMILES
O=S(=O)(Cl)c1ccc(F)cc1- InChIKey
BFXHJFKKRGVUMU-UHFFFAOYSA-N- 분자식
- C6H4ClFO2S
- 평균 분자량
- 194.61 g/mol
- 단동위원소 질량
- 193.96045627
개요
reagent for protein studies by F-NMR
이름 및 식별자
- 우선 이름
- 4-Fluorobenzenesulfonyl chloride
- IUPAC
- 4-fluorobenzenesulfonyl chloride
- 영어명
- 4-Fluorobenzenesulfonyl chloride
- 분자식
- C6H4ClFO2S
- 분자량
- 194.61
이름 및 동의어
4-Fluorobenzenesulfonyl chloride349-88-24-Fluorobenzenesulphonyl chloridep-Fluorobenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-fluoro-4-Fluorophenylsulfonyl chlorideBenzenesulfonyl chloride, p-fluoro-2M9GLL38TNNSC-140128DTXSID3059846RefChem:99002DTXCID9038925
이름 더 보기
uorobenzenesuL4-FluorobenzenesulfonylP-Fluorophenyl chloride4-Fluorbenzolsulfonylchloridchloro(4-fluorophenyl)sulfone4-fluoro-benzenesulfonylchloridBenzenesulfonyl chloride, 4-fp-Fluorophenylsulfonyl chloride
206-493-04-Fluorobenzene-1-Sulfonyl Chloride4-fluorobenzenesulfonylchloride4-fluorobenzenesulfonic acid chlorideMFCD000074384-fluoro-benzenesulfonyl chloride4-fluorobenzensulfonyl chlorideP-FLUOROBENZENESULPHONYL CHLORIDE
데이터베이스 식별자
- CAS
349-88-2- PubChem CID
- 9588
- DTXSID
DTXSID3059846- UNII
- 2M9GLL38TN
- EC Number
- 206-493-0
- Nikkaji
- J33G
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 213
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesDielectric constant
Physical DescriptionMelting point = 30 deg C; [ChemIDplus] White solid; mp = 35-38 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 29 · 29-31 °C (lit.)
- 끓는 점
- 95 · 95-96 °C/2 mmHg (lit.)
- 밀도
- 1.467 · 1.467 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명
- 물리적 상태
- 결정질 저융점 질량
- 색상
- 흰색에서 밝은 갈색까지
- BRN
- 2091633 · 2091633
- 안정성
- 수분에 민감한
- InChI
- InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
- InChIKey
- BFXHJFKKRGVUMU-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(F)C=C1
- EPA
- 4 · Benzenesulfonyl chloride, 4-fluoro- (349-88-2)
화학적 성질
white to light brown crystalline low melting mass
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (36.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24567
Benzenesulfonyl chloride, 4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See p-Toluenesulfonyl chloride.
Hazard Classes and CategoriesAcute Tox. 4 (36.2%)
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
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45-28A-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 2010-3-4571
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
UsesUsed as a reagent for studying proteins using fluorine nuclear magnetic resonance (F-NMR); [ChemIDplus]
General Manufacturing InformationBenzenesulfonyl chloride, 4-fluoro-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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