CAS 52200-99-4 2-Fluorobenzene-1-sulfonyl fluoride (HCID 14195260)

기본 정보

CAS: 52200-99-4
표준 SMILES: O=S(=O)(F)c1ccccc1F
InChIKey: ODVXTZVBPYPQLJ-UHFFFAOYSA-N
분자식: C6H4F2O2S
평균 분자량: 178.16 g/mol

이름 및 식별자

우선 이름: 2-Fluorobenzene-1-sulfonyl fluoride
IUPAC: 2-fluorobenzenesulfonyl fluoride
현지명: 2-플루오로벤젠술포닐불화물
영어명: 2-Fluorobenzenesulfonyl Fluoride
분자식: C6H4F2O2S
분자량: 178.16

이름 및 동의어

52200-99-42-fluorobenzene-1-sulfonyl fluorideRefChem:472613809-351-12-fluoroBenzenesulfonyl fluorideMFCD183752352-FluorobenzenesulfonylFluorideSY0071612-fluoro-benzenesulfonyl fluorideAC1608AKOS0272569652-Fluorobenzenesulfonyl fluoride, 95%

이름 더 보기

2-플루오로벤젠술포닐불화물2-Fluorobenzenesulfonyl fluoride 95%

CS-11158EN300-224418Benzenesulfonyl fluoride, 2-fluoro-Benzenesulfonyl fluoride,FT-0728757A923928SCHEMBL1567516SCHEMBL31560093

데이터베이스 식별자

CAS: 52200-99-4
PubChem CID: 14195260
EC Number: 809-351-1
Nikkaji: J2.839.966I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 219

물리화학적 성질

끓는 점: 90 · 90-94 °C(Press: 10 Torr)
밀도: 1.421 at · 1.421 at 25 °C
굴절률: 1.476 · n/D 1.476
인화점: 106 °C · 106°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: liquid
InChI: InChI=1S/C6H4F2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKey: ODVXTZVBPYPQLJ-UHFFFAOYSA-N
SMILES: C1(S(F)(=O)=O)=CC=CC=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8 / PGII
HS 번호: 2930909899
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.