2-Bromo-4'-(trifluoromethyl)acetophenone

HCID 321979CAS 383-53-9

기본 정보

표준 SMILES: O=C(CBr)c1ccc(C(F)(F)F)cc1
InChIKey: HEMROKPXTCOASZ-UHFFFAOYSA-N
분자식: C9H6BrF3O
평균 분자량: 267.04 g/mol
단동위원소 질량: 265.95541157

이름 및 식별자

우선 이름: 2-Bromo-4'-(trifluoromethyl)acetophenone
IUPAC: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
영어명: 4-(Trifluoromethyl)phenacyl bromide
분자식: C9H6BrF3O
분자량: 267.04

이름 및 동의어

2-Bromo-4'-(trifluoromethyl)acetophenoneRefChem:466358609-544-9383-53-94-(Trifluoromethyl)phenacyl bromide2-bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone2-bromo-1-(4-(trifluoromethyl)phenyl)ethanoneMFCD001264894-Trifluoromethylphenacyl bromideCHEMBL1053482-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone

이름 더 보기

2-BroMo-4&priMeBUTTPARK 35\01-55methyl 3-cyano-5-nitrobenzoate4-(Trifluoromethyl)phecyl bromide4'-(TRIFLUOROMETHYL)PHENACYL BROMIDE4-(Trifluoromethyl)phenacylbromide97%4-(Trifluoromethyl)phenacyl bromide 97%2-Bromo-4'-(trifluoromethyl)acetophenon

2-bromo-1-(4-(trifluoromethyl)phenyl)ethan-1-oneEthanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]-NSC2773032-bromo-4'-trifluoromethylacetophenoneSCHEMBL2039314-trifluoromethylphenacylbromideDTXSID303137914-trifluoromethyl phenacyl bromide

데이터베이스 식별자

CAS: 383-53-9
PubChem CID: 321979
DTXSID: DTXSID30313791
ChEMBL: CHEMBL105348
EC Number: 609-544-9
Nikkaji: J1.430.657I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 45 °C · 45 °C
끓는 점: 264.2 · 264.2±40.0 °C(Predicted)
밀도: 1.592 · 1.592±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 노란색, 주황색으로
InChI: 1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2
InChIKey: HEMROKPXTCOASZ-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(cc1)C(=O)CBr

화학적 성질

White powder or crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (92.9%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29147000
risk_code: 34-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: CORROSIVE
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

1.4-다이옥세인 디에틸에테르 브롬 4'-(Trifluoromethyl)acetophenone 1-(2-Bromoethynyl)-4-(trifluoromethyl)benzene 4'-Trifluoromethylphenyl acetylene 모노에틸렌글리콜 4-(Trifluoromethyl)styrene

하류 제품

1,3-Dioxolane, 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-2-Oxazoleethanol, β,5-dibromo-4-[4-(trifluoromethyl)phenyl]-, 2-acetate 1H-Isoindole-1,3(2H)-dione, 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidine 2-(Methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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