3-Fluorobenzenesulfonyl Chloride

HCID 2734258CAS 701-27-9

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cccc(F)c1
InChIKey: OKYSUJVCDXZGKE-UHFFFAOYSA-N
분자식: C6H4ClFO2S
평균 분자량: 194.61 g/mol
단동위원소 질량: 193.96045627

이름 및 식별자

우선 이름: 3-Fluorobenzenesulfonyl Chloride
IUPAC: 3-fluorobenzenesulfonyl chloride
영어명: 3-Fluorobenzenesulfonyl chloride
분자식: C6H4ClFO2S
분자량: 194.61

이름 및 동의어

3-Fluorobenzenesulfonyl chloride701-27-9DTXSID00370179RefChem:279517DTXCID30321215628-370-4m-fluorobenzenesulfonyl chloride3-fluorobenzene-1-sulfonyl chloride3-fluorobenzenesulphonyl chloride3-fluoro-benzenesulfonyl chlorideMFCD000422863-fluorobenzenesulfonylchloride

이름 더 보기

BENZENESULFONYL CHLORIDE, 3-FLUORO-AKOS BB-94613-FluorobenzeBUTTPARK 33\11-493-FluorobenzenesulfonylChloride>3-FLUOROBENZENE-1-SULFONYL CHLORIDE3-Fluorobenzenesulphonylchloride97%

SCHEMBL674483-fluorobenzensulfonylchloridechloro(3-fluorophenyl)sulfonem-fluorobenzenesulfonylchloride3-fluorobenzensulfonyl chloride3-flourobenzenesulfonyl chloridem-fluoro-phenylsulfonyl chloride3-fluoro-benzensulfonyl chloride

데이터베이스 식별자

CAS: 701-27-9
PubChem CID: 2734258
DTXSID: DTXSID00370179
EC Number: 628-370-4
Nikkaji: J1.580.424F

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: 7 °C · 7°C
끓는 점: 231 · 231-232 °C (lit.)
밀도: 1.463 g/mL · 1.463 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 분말, 과립 또는 덩어리
색상: 회갈색~짙은 갈색
BRN: 2091631 · 2091631
InChI: InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
InChIKey: OKYSUJVCDXZGKE-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC(F)=C1

화학적 성질

clear colorless to yellow-orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (44%): 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 84 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 (44%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34-29-14-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-8-30-23-27
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

용도3-Fluorobenzenesulfonyl chloride may be used in the preparation of 1-(2-bromobenzyl)-2-(3-fluorophenyl)pyrrole and 1-(2-bromobenzyl)-2,5-bis(3-fluorophenyl)pyrrole.

일반 설명3-Fluorobenzenesulfonyl chloride, also known as m-fluorobenzenesulfonyl chloride, is a fluorinated arylsulfonyl chloride. It can be prepared from 1,3-benzenedisulfonyl fluoride.