2-Fluorobenzenesulphonyl chloride

HCID 137761CAS 2905-21-7

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccccc1F
InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N
분자식: C6H4ClFO2S
평균 분자량: 194.61 g/mol
단동위원소 질량: 193.96045627

이름 및 식별자

우선 이름: 2-Fluorobenzenesulphonyl chloride
IUPAC: 2-fluorobenzenesulfonyl chloride
영어명: 2-Fluorobenzenesulfonyl chloride
분자식: C6H4ClFO2S
분자량: 194.61

이름 및 동의어

2905-21-72-Fluorobenzenesulphonyl chlorideDTXSID00183286RefChem:87145DTXCID10105777ZSZKAQCISWFDCQ-UHFFFAOYSA-N2-Fluorobenzenesulfonyl chloride2-Fluorobenzene-1-Sulfonyl ChlorideBENZENESULFONYL CHLORIDE, 2-FLUORO-2-fluoro-benzenesulfonyl chloride2-FluorobenzenesulfonylchlorideMFCD00042285

이름 더 보기

2-FluorobenzBUTTPARK 27\04-292-FLUOROBENZENESULFONYL2-FluoroPhenylsulfonylChlorideo-Fluorobenzenesulfonyl Chloride2-FluorobenzenesulfonylChloride>BENZENESULFONYL CHLORIDE, 2-FLUORO-

chloro(2-fluorophenyl)sulfone2-fluorophenylsulfonyl chlorideSCHEMBL164122-fluoro-benzenesulfonylchloride2-fluoro-benzensulfonyl chlorideSCHEMBL306059112-Fluorobenzene-sulfonyl chloride2-fluorobenzene-1-sulfonylchloride

데이터베이스 식별자

CAS: 2905-21-7
PubChem CID: 137761
DTXSID: DTXSID00183286
EC Number: 628-227-6
Nikkaji: J2.424.107F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 27 · 27-30 °C (lit.)
끓는 점: 246 · 246-247 °C (lit.)
밀도: 1.47 g/mL · 1.47 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.537(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
Specific Gravity: 1.47 · 1.470
색상: 무색의
BRN: 2093979 · 2093979
InChI: 1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H
InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N
SMILES: Fc1ccccc1S(Cl)(=O)=O

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (43.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (43.5%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34-36/37/38
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Fluorobenzenesulfonyl chloride may be used in the preparation of the following furan derivatives:2-(2-fluorophenyl)benzofuran2-butyl-5-(2-fluorophenyl)furan2-(2-fluorophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuranIt may also be used to prepare:2-fluorobenzenesulfonamidemethyl 2-{[(2-fluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylatepotassium fluorobenzene-2-sulfonate1-(2-bromobenzyl)-2-(2-fluorophenyl)pyrrole

일반 설명2-Fluorobenzenesulfonyl chloride, also known as o-fluorobenzenesulfonyl chloride, is a flurinated arylsulfonyl chloride. It can be prepared from o-benzenedisulfonyl fluoride.