2,6-Difluorobenzenesulfonyl chloride

HCID 2734271CAS 60230-36-6

기본 정보

표준 SMILES: O=S(=O)(Cl)c1c(F)cccc1F
InChIKey: QXWAUQMMMIMLTO-UHFFFAOYSA-N
분자식: C6H3ClF2O2S
평균 분자량: 212.6 g/mol
단동위원소 질량: 211.95103446

이름 및 식별자

우선 이름: 2,6-Difluorobenzenesulfonyl chloride
IUPAC: 2,6-difluorobenzenesulfonyl chloride
영어명: 2,6-Difluorobenzenesulfonyl chloride
분자식: C6H3ClF2O2S
분자량: 212.6

이름 및 동의어

2,6-Difluorobenzenesulfonyl chloride60230-36-6QXWAUQMMMIMLTO-UHFFFAOYSA-DTXSID50370189RefChem:83229DTXCID80321225626-498-5InChI=1/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H2,6-Difluorobenzene-1-Sulfonyl Chloride2,6-difluorobenzenesulfonylchlorideBENZENESULFONYL CHLORIDE, 2,6-DIFLUORO-2,6-difluorobenzenesulphonyl chloride

이름 더 보기

BUTTPARK 27\04-272,6-DIFLUOROBENZENESULFONYL,6-Difluorobenzene-1-sulfonyl chloride2,6-DifluorobenzenesulfonylChloride>BENZENESULFONYL CHLORIDE, 2,6-DIFLUORO-2,6-Difluorobenzenesulphonylchloride98%2,6-Difluorobenzenesulfonyl chloride,98%

MFCD000850042,6-difluorobenzene sulfonyl chloride(2,6-difluorophenyl)chlorosulfoneSCHEMBL5328872,6-diflurobenzenesulfonyl chlorideSBB0637742,6-difluoro-benzenesulfonyl chloride2,6-difluorobenzene-sulphonyl chloride

데이터베이스 식별자

CAS: 60230-36-6
PubChem CID: 2734271
DTXSID: DTXSID50370189
EC Number: 626-498-5
Nikkaji: J2.644.423C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 239

물리화학적 성질

끓는 점: 210 °C · 210 °C (lit.)
밀도: 1.568 g/mL · 1.568 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
InChI: InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H
InChIKey: VHCVYGNNCGAWBP-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=C(F)C=CC=C1F

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24491

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
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

용도2,6-Difluorobenzenesulfonyl chloride may be used in the synthesis of 2,6-difluorobenzenesulfonamide and benzoxathiazocine 1,1-dioxides core scaffolds.

일반 설명2,6-Difluorobenzenesulfonyl chloride can be prepared by reacting difluorophenyllithium with sulfuryl chloride.