2,4,5-Trifluorobenzenesulfonyl chloride

HCID 2776979CAS 220227-21-4

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cc(F)c(F)cc1F
InChIKey: STCZWXXRRTWRSK-UHFFFAOYSA-N
분자식: C6H2ClF3O2S
평균 분자량: 230.59 g/mol
단동위원소 질량: 229.94161264

이름 및 식별자

우선 이름: 2,4,5-Trifluorobenzenesulfonyl chloride
IUPAC: 2,4,5-trifluorobenzenesulfonyl chloride
영어명: 2,4,5-Trifluorobenzenesulfonyl chloride
분자식: C6H2ClF3O2S
분자량: 230.59

이름 및 동의어

2,4,5-trifluorobenzenesulfonyl Chloride220227-21-4DTXSID40380318RefChem:245570DTXCID80331344642-467-92,4,5-trifluorobenzene-1-sulfonyl chlorideMFCD000776002,4,5-trifluorobenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,4,5-trifluoro-2,4,5-Trifluorophenyl sulfonyl chloride2,4,5-Trifluoro-benzenesulfonyl chloride

이름 더 보기

2,4,5-TrifluoBUTTPARK 23\07-752,4,5-Trifluorobenze2,4,5-trifluorobenzenesulfonyl chloridBenzenesulfonyl chloride, 2,4,5-trifluoro- (9CI)2,4,5-Trifluorobenzenesulfonyl chloride ISO 9001：2015 REACH

SCHEMBL320605SCHEMBL29835175STCZWXXRRTWRSK-UHFFFAOYSA-NSBB063776chloro(2,4,5-trifluorophenyl)sulfoneAKOS005255101CS-W0088122,4,5-trifluro benzenesulfonyl chloride

데이터베이스 식별자

CAS: 220227-21-4
PubChem CID: 2776979
DTXSID: DTXSID40380318
EC Number: 642-467-9

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 276

물리화학적 성질

끓는 점: 240.1 · 240.1±35.0 °C(Predicted)
밀도: 1 · 1,657 g/cm3
굴절률: 1.503 · 1.503
인화점: 100 ° · >100°(212°F)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: 1S/C6H2ClF3O2S/c7-13(11,12)6-2-4(9)3(8)1-5(6)10/h1-2H
InChIKey: STCZWXXRRTWRSK-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(cc1F)S(Cl)(=O)=O

화학적 성질

off-white solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 79.2% (38 of 48) of all reports.

Danger

H314 (20.8%): 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory.