4-FLUORO-3-(트리플루오로메틸)벤졸릴클로라이드

4-Fluoro-3-(trifluoromethyl)benzoyl Chloride

HCID 144253CAS 67515-56-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1ccc(F)c(C(F)(F)F)c1
InChIKey: BUDISZQHCHGLJW-UHFFFAOYSA-N
분자식: C8H3ClF4O
평균 분자량: 226.55 g/mol
단동위원소 질량: 225.98085528

이름 및 식별자

우선 이름: 4-Fluoro-3-(trifluoromethyl)benzoyl Chloride
IUPAC: 4-fluoro-3-(trifluoromethyl)benzoyl chloride
현지명: 4-FLUORO-3-(트리플루오로메틸)벤졸릴클로라이드
영어명: 4-Fluoro-3-(trifluoromethyl)benzoyl chloride
분자식: C8H3ClF4O
분자량: 226.56

이름 및 동의어

4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-4DTXSID40217857Benzoyl chloride, 4-fluoro-3-(trifluoromethyl)-RefChem:98972DTXCID90140348623-539-9BUDISZQHCHGLJW-UHFFFAOYSA-N4-fluoro-3-(trifluoromethyl)benzoylchlorideMFCD00061159alpha,alpha,alpha,4-Tetrafluoro-m-toluoyl ChlorideAS00071

이름 더 보기

4-FLUORO-3-(트리플루오로메틸)벤졸릴클로라이드SKL1238à,à,à,4-tetrafluoro-m-toluoyl chloride5-(Chlorocarbonyl)-2-fluorobenzotrifluoride4-Fluoro-3-(trifluoromethyl)benzoul chloride4-Fluoro-3-(trifluoromethyl)benzoylChloride>4-Fluoro-3-(trifluoromethyl)benzoylchloride97%4-Fluoro-3-(trifluoromethyl)benzoyl chloride 97%

4-fluoro-3-trifluoromethyl-benzoyl chlorideSCHEMBL759728SBB097007AKOS009158608PS-10739SY0184234-fluoro-3-trifluoromethylbenzoyl chloride4-Fluoro-5-trifluoromethylbenzoyl chloride

데이터베이스 식별자

CAS: 67515-56-4
PubChem CID: 144253
DTXSID: DTXSID40217857
EC Number: 623-539-9

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: 170 °C · 170 °C (lit.)
밀도: 1.493 g/mL · 1.493 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.469(lit.)
인화점: 170 °F · 170 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1968721 · 1968721
InChI: 1S/C8H3ClF4O/c9-7(14)4-1-2-6(10)5(3-4)8(11,12)13/h1-3H
InChIKey: BUDISZQHCHGLJW-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1C(F)(F)F)C(Cl)=O

화학적 성질

clear colorless to pale 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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.