5-FLUORO-2-(트리플루오로메틸)벤졸릴클로라이드

5-Fluoro-2-(trifluoromethyl)benzoyl chloride

HCID 2737560

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 216144-70-6
표준 SMILES: O=C(Cl)c1cc(F)ccc1C(F)(F)F
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.9808551

이름 및 식별자

우선 이름: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
IUPAC: 5-fluoro-2-(trifluoromethyl)benzoyl chloride
현지명: 5-FLUORO-2-(트리플루오로메틸)벤졸릴클로라이드
영어명: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
분자식: C8H3ClF4O
분자량: 226.56

이름 및 동의어

5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6DTXSID30372141RefChem:303131DTXCID90323174624-327-9MFCD000835345-Fluoro-2-(trifluoromethyl)benzoylChlorideBenzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-fluoro-2-trifluoromethylbenzoyl chloride5-Fluoro-2-trifluoromethyl-benzoyl chlorideSCHEMBL936738

이름 더 보기

5-FLUORO-2-(트리플루오로메틸)벤졸릴클로라이드SKL1246OTF-BOC-5Fà,à,à,5-tertafluoro-o-toluoyl chloride2-TRIFLUOROMETHYL-5-FLUOROBENZOYL CHLORIDE3-Fluoro-6-trifluoromethylbenzoyl chloride5-Fluoro-2-(trifluoromethyl)benzoylchloride97%5-Fluoro-2-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-Fluoro-2-(trifluoromethyl)benzoyl chloride 97%

SCHEMBL29789772SBB067921AKOS015853220PS-107385-fluoro 2-trifluoromethyl benzoyl chlorideF0769F0079185-Fluoro-2-(trifluoromethyl)benzoyl chloride, 97%

데이터베이스 식별자

CAS: 216144-70-6
PubChem CID: 2737560
DTXSID: DTXSID30372141
EC Number: 624-327-9

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: 169 °C · 169 °C (lit.)
밀도: 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 188 °F · 188 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.5 · 1.500
색상: Clear, colourless
InChI: 1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
SMILES: Fc1ccc(c(c1)C(Cl)=O)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.