2-FLUORO-4-(트리플루오로메틸)벤졸릴클로라이드

2-Fluoro-4-(trifluoromethyl)benzoyl chloride

HCID 145580CAS 126917-10-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1ccc(C(F)(F)F)cc1F
InChIKey: OOAHPLWBUUTFMV-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.98085528

이름 및 식별자

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

이름 및 동의어

2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-0DTXSID80155325RefChem:87069DTXCID9077816624-765-0OOAHPLWBUUTFMV-UHFFFAOYSA-NBenzoyl chloride, 2-fluoro-4-(trifluoromethyl)-MFCD000611552-fluoro-4-trifluoromethylbenzoyl chloride4-trifluoromethyl-2-fluorobenzoyl chloride2-Fluoro-4-trifluoromethyl-benzoyl chloride

이름 더 보기

2-FLUORO-4-(트리플루오로메틸)벤졸릴클로라이드SKL1237à,à,à,2-tetrafluoro-p-toluoyl chloride2-fluoro-4-trifluoromethylberu:oyl chloride2-Fluoro-4-(trifluoromethyl)benzoylchloride97%2-Fluoro-4-(trifluoromethyl)benzoyl chloride 97%

2-fluoro-4-trifluoromethyl-1-benzenecarbonyl chlorideAS-407452-Fluoro-4-(trifluoromethyl)benzoyl chloride, 98%2-Fluoro-4-(trifluoromethyl)-1-benzenecarbonyl chloride2-fluoro-4-(trifluoromethyl)benzoylchlorideALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUOYL CHLORIDEFT-06123272-Fluoro-4-trifluoromethyl

데이터베이스 식별자

CAS: 126917-10-0
PubChem CID: 145580
DTXSID: DTXSID80155325
EC Number: 624-765-0

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: 188 · 188-189 °C (lit.)
밀도: 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.466(lit.)
인화점: 178 °F · 178 °F
물리적 상태: 액체
색상: 무색의
BRN: 4251456 · 4251456
InChI: 1S/C8H3ClF4O/c9-7(14)5-2-1-4(3-6(5)10)8(11,12)13/h1-3H
InChIKey: OOAHPLWBUUTFMV-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1C(Cl)=O)C(F)(F)F

화학적 성질

Clear colorless 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 3 notifications to the ECHA C&L Inventory.