2-Fluoro-5-(trifluoromethyl)benzoyl Chloride

HCID 2734880CAS 207981-46-2

기본 정보

표준 SMILES: O=C(Cl)c1cc(C(F)(F)F)ccc1F
InChIKey: OFVKAIZITGCCDN-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.98085528

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)benzoyl Chloride
IUPAC: 2-fluoro-5-(trifluoromethyl)benzoyl chloride
영어명: 2-Fluoro-5-(trifluoromethyl)benzoyl chloride
분자식: C8H3ClF4O
분자량: 226.56

이름 및 동의어

2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2DTXSID20370550RefChem:260972DTXCID00321585632-656-42-fluoro-5-trifluoromethylbenzoyl chlorideMFCD00061156Benzoyl chloride, 2-fluoro-5-(trifluoromethyl)-alpha,alpha,alpha,6-Tetrafluoro-m-toluoyl ChlorideAKOS0052558965-trifluoromethyl-2-fluorobenzoyl chloride

이름 더 보기

SKL1232à,à,à,6-tetrafluoro-m-toluoyl chlorideα,α,α,6-Tetrafluoro-m-toluoyl chloride2-Fluoro-5-(trifluoromethyl)benzoylchloride97%2-Fluoro-5-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 2-fluoro-5-(trifluoromethyl)-2-Fluoro-5-(trifluoromethyl)benzoyl chloride 97%2-Fluoro-5-(trifluoroMethyl)benzoyl chloride, 97% 5GR

2-fluoro-5-(trifluoromethyl)benzoylchloride2-Fluoro-5-2-Fluoro-5-trifluoromethyl-benzoyl chlorideSCHEMBL283293BBL100988SBB0970082-fluoro-5-trifluoromethylbenzoylchloridePS-10736

데이터베이스 식별자

CAS: 207981-46-2
PubChem CID: 2734880
DTXSID: DTXSID20370550
EC Number: 632-656-4

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: 191 °C · 191 °C (lit.)
밀도: 1.499 g/mL · 1.499 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.468(lit.)
인화점: 200 °F · 200 °F
저장 조건: Refrigerator (+4°C)
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.499 · 1.499
InChI: 1S/C8H3ClF4O/c9-7(14)5-3-4(8(11,12)13)1-2-6(5)10/h1-3H
InChIKey: OFVKAIZITGCCDN-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1C(Cl)=O)C(F)(F)F

화학적 성질

clear 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, 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 47 reports by companies from 4 notifications to the ECHA C&L Inventory.