4-Fluoro-2-(trifluoromethyl)benzoyl chloride

HCID 605680CAS 189807-21-4

기본 정보

표준 SMILES: O=C(Cl)c1ccc(F)cc1C(F)(F)F
InChIKey: OEYHURRIOWWRMD-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.98085528

이름 및 식별자

우선 이름: 4-Fluoro-2-(trifluoromethyl)benzoyl chloride
IUPAC: 4-fluoro-2-(trifluoromethyl)benzoyl chloride
영어명: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
분자식: C8H3ClF4O
분자량: 226.56

이름 및 동의어

4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-4DTXSID20345581RefChem:98951DTXCID10296654620-887-3OEYHURRIOWWRMD-UHFFFAOYSA-NBenzoyl chloride, 4-fluoro-2-(trifluoromethyl)-MFCD000611584-fluoro-2-(trifluoromethyl)benzoylchloride2-Trifluoromethyl-4-fluorobenzoyl chloridealpha,alpha,alpha,4-Tetrafluoro-o-toluoyl Chloride

이름 더 보기

SKL12444-Tetrafluoro-O-Toluoyl Chlorideà,à,à,4-tetrafluoro-o-toluoyl chloride2-(Chlorocarbonyl)-5-fluorobenzotrifluoride4-Fluoro-2-(trifluoromethyl)benzoylChloride>4-Fluoro-2-(trifluoromethyl)benzoylchloride97%4-Fluoro-2-(trifluoromethyl)benzoyl chloride 97%

SCHEMBL679186SBB097011AKOS0052576982-trifluoromethyl-4-fluorobenzoylchloridPS-107374-fluoro-2-trifluoromethylbenzoyl chloride2-trifluoromethyl-4-fluoro-benzoyl chloride4-fluoro-2-trifluoromethyl benzoyl chloride

데이터베이스 식별자

CAS: 189807-21-4
PubChem CID: 605680
DTXSID: DTXSID20345581
EC Number: 620-887-3

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 157 °C · 157 °C (lit.)
밀도: 1.495 g/mL · 1.495 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.468(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 물과 섞이지 않습니다.
InChI: 1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H
InChIKey: OEYHURRIOWWRMD-UHFFFAOYSA-N
SMILES: Fc1ccc(C(Cl)=O)c(c1)C(F)(F)F

화학적 성질

Clear colorless to 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, 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 4 notifications to the ECHA C&L Inventory.