3-FLUORO-5-(트리플루오로메틸)벤졸릴클로라이드

3-Fluoro-5-(trifluoromethyl)benzoyl chloride

HCID 519364CAS 171243-30-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1cc(F)cc(C(F)(F)F)c1
InChIKey: BGAKSLBTFLVNAH-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.98085528

이름 및 식별자

우선 이름: 3-Fluoro-5-(trifluoromethyl)benzoyl chloride
IUPAC: 3-fluoro-5-(trifluoromethyl)benzoyl chloride
현지명: 3-FLUORO-5-(트리플루오로메틸)벤졸릴클로라이드
영어명: 3-Fluoro-5-(trifluoromethyl)benzoyl chloride
분자식: C8H3ClF4O
분자량: 226.56

이름 및 동의어

3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-4DTXSID60333987RefChem:93926DTXCID00285077624-911-3BGAKSLBTFLVNAH-UHFFFAOYSA-NMFCD000611573-Fluoro-5-trifluoromethylbenzoyl chloride3-fluoro-5-(trifluoromethyl)benzoylchlorideAC-10883SY048987

이름 더 보기

3-FLUORO-5-(트리플루오로메틸)벤졸릴클로라이드SKL1233BUTTPARK 32\01-72à,à,à,5-tetrafluoro-m-toluoyl chloride3-Fluoro-5-(trifluoromethyl)benzoylChloride>3-Fluoro-5-(trifluoromethyl)benzoylchloride97%3-fluoro-5-(trifluoromethyl)benzeneformylchloroBenzoyl chloride, 3-fluoro-5-(trifluoromethyl)-3-Fluoro-5-(trifluoromethyl)benzoyl chloride 97%

3-fluoro-5-trifluoromethyl-benzoyl chloride3-Fluoro-5-(trifluoromethyl)benzoyl chloride, 95%5-fluoro-3-(trifluoromethyl)benzoyl chloridealpha,alpha,aalpha,alpha,alpha,5-Tetrafluoro-m-toluoyl ChlorideAM613733-fluoro-5-(trifluoromethyl)benzoic acid chlorideSCHEMBL679313

데이터베이스 식별자

CAS: 171243-30-4
PubChem CID: 519364
DTXSID: DTXSID60333987
EC Number: 624-911-3
Nikkaji: J1.894.742K

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: 119 °C · 119 °C (lit.)
밀도: 1.482 g/mL · 1.482 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 165 °F · 165 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.482 · 1.482
색상: Clear, faint orange
BRN: 8056839 · 8056839
InChI: 1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H
InChIKey: BGAKSLBTFLVNAH-UHFFFAOYSA-N
SMILES: Fc1cc(cc(c1)C(F)(F)F)C(Cl)=O

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 46 reports by companies from 3 notifications to the ECHA C&L Inventory.