2,4-Difluorobenzenesulfonyl Chloride

HCID 2734273CAS 13918-92-8

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(F)cc1F
InChIKey: FJSAJUXIHJIAMD-UHFFFAOYSA-N
분자식: C6H3ClF2O2S
평균 분자량: 212.6 g/mol
단동위원소 질량: 211.95103446

이름 및 식별자

우선 이름: 2,4-Difluorobenzenesulfonyl Chloride
IUPAC: 2,4-difluorobenzenesulfonyl chloride
영어명: 2,4-Difluorobenzenesulfonyl chloride
분자식: C6H3ClF2O2S
분자량: 212.6

이름 및 동의어

13918-92-82,4-Difluorobenzenesulfonyl chlorideFJSAJUXIHJIAMD-UHFFFAOYSA-DTXSID20370191RefChem:82422DTXCID00321227629-141-1FJSAJUXIHJIAMD-UHFFFAOYSA-NInChI=1/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H2,4-Difluorobenzene-1-Sulfonyl Chloride2,4-difluorobenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,4-difluoro-

이름 더 보기

AKOS B019394BUTTPARK 23\07-79TIMTEC-BB SBB003423ART-CHEM-BB B0193942,4-DIFLUOROBENZENES2,4-difluorobenzoate2,4-Difluorobenzenesulphonyl chlor2,4-Diflurobenzensulfonyl chloride

MFCD000424812,4-difluoro-benzenesulfonyl chloride(2,4-difluorophenyl)chlorosulfone2,4-difluorobenzenesulfonylchloride2,4-DIFLUOROBENZENESULPHONYLCHLORIDESCHEMBL113810SCHEMBL298997012,4-di-fluorophenylsulfonylchloride

데이터베이스 식별자

CAS: 13918-92-8
PubChem CID: 2734273
DTXSID: DTXSID20370191
EC Number: 629-141-1
Nikkaji: J2.644.422E

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: 249

물리화학적 성질

끓는 점: 101 · 101-102 °C (1 mmHg)
밀도: 1.581 g/mL · 1.581 g/mL at 25 °C(lit.)
굴절률: 1.5187 · 1.5187
인화점: 110 °C · >110°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 무색투명~연황색
BRN: 2970373 · 2970373
InChI: 1S/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H
InChIKey: FJSAJUXIHJIAMD-UHFFFAOYSA-N
SMILES: Fc1ccc(c(F)c1)S(Cl)(=O)=O

화학적 성질

clear colorless to light 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29049090
risk_code: 34
hazard_code: C,Xi
safety_code: 45-36/37/39-26
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

용도2,4-Difluorobenzenesulfonyl chloride may be used in the preparation of 2,4-difluoro-N,N-dimethylbenzenesulfonamide, a precursor for poly(aryl ether sulfonamide)s.It may be used in the preparation of the following benzenesulfonamide quinoline derivatives with potent anti-HIV-1 (human immunodeficiency virus type 1) activity:2,4-difluoro-N-methyl-N-(quinolin-8-yl)benzenesulfonamideN-ethyl-2,4-difluoro-N-(quinolin-8-yl)benzenesulfonamide 2,4-difluoro-N-(quinolin-8-yl)benzenesulfonamide

일반 설명2,4-Difluorobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative.