트리플로르메틸-3아세토페논

3'-(Trifluoromethyl)acetophenone

HCID 67682CAS 349-76-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)c1cccc(C(F)(F)F)c1
InChIKey
ABXGMGUHGLQMAW-UHFFFAOYSA-N
분자식
C9H7F3O
평균 분자량
188.15 g/mol
단동위원소 질량
188.0448995

이름 및 식별자

우선 이름
3'-(Trifluoromethyl)acetophenone
IUPAC
1-[3-(trifluoromethyl)phenyl]ethanone
현지명
트리플로르메틸-3아세토페논
영어명
3'-(Trifluoromethyl)acetophenone
분자식
C9H7F3O
분자량
188.15

이름 및 동의어

349-76-83'-(Trifluoromethyl)acetophenone1-[3-(Trifluoromethyl)phenyl]ethanone1-(3-(trifluoromethyl)phenyl)ethanoneEthanone, 1-[3-(trifluoromethyl)phenyl]-3-Trifluoromethylacetophenonem-(trifluoromethyl)acetophenonem-Trifluoromethylacetophenone3'-trifluoromethylacetophenoneEthanone, 1-(3-(trifluoromethyl)phenyl)-UNII-EQ30608V1HEQ30608V1H
이름 더 보기
트리플로르메틸-3아세토페논3-(트리플로로메틸)아세토페논3'-(트라이플루오로메틸)아세토페논3-(TRIFLUOROMETHYL)ACETOPHENONE1-(3-TRIFLUOROMETHYL-PHENYL)-ETHANONE3-ACETYLBENZOFLUORIDE3-Trifluoroacetophenone3-ACETYLBENZOTRIFLUORIDE3-trifluoromethylhypnone3-Trifludromethylacetophen3-trifluoromethylphenacetone3'-(Trifluoromethyl)acetophe3-Trifluorometylacetophenone
EINECS 206-490-4NSC-59177NSC-818883-Trifludromethylacetophenone3-TRIFLUOROMETHYL-1-ACETYLBENZENEACETOPHENONE, 3'-(TRIFLUOROMETHYL)-3-CF3-C6H4-COCH3DTXSID3059844

데이터베이스 식별자

CAS
349-76-8
PubChem CID
67682
DTXSID
DTXSID3059844
UNII
EQ30608V1H
EC Number
206-490-4
Nikkaji
J193.811H

물성

구조 계산 물성

XLogP
3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
13

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점
198 · 198-200 °C(lit.)
밀도
1.235 g/mL · 1.235 g/mL at 25 °C(lit.)
증기압
35 Pa · 35Pa at 25℃
굴절률
20 · n20/D 1.4611(lit.)
인화점
183 °F · 183 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (55.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 27-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11747

Hazard Classes and CategoriesSkin Irrit. 2 (55.2%)

안전 데이터

wgk
1
tsca
TSCA listed
HS 번호
29147090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-[3-(trifluoromethyl)phenyl]-: ACTIVE
응용 분야 · 2건

용도3''-(Trifluoromethyl)acetophenone is a reagent used in the stabilization of endosomal-toll-like receptor TRL8 creating a sort of inhibitory activity.

일반 설명Asymmetric catalytic addition of ethyl groups to 3′-(trifluoromethyl)acetophenone catalyzed by ligands derived from trans-1,2-diaminocyclohexane and camphor sulfonyl chloride has been reported. Phenylation of 3′-(trifluoromethyl)acetophenone in the presence of dihydroxy bis(sulfonamide) ligand (enantioselective catalyst), titanium tetraisopropoxide and diphenylzinc has been investigated.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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