4'-브로모-2,2,2-트리플루오로아세토펜온

4'-Bromo-2,2,2-trifluoroacetophenone

HCID 603866

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16184-89-7
표준 SMILES: O=C(c1ccc(Br)cc1)C(F)(F)F
InChIKey: IHGSAQHSAGRWNI-UHFFFAOYSA-N
분자식: C8H4BrF3O
평균 분자량: 253.02 g/mol
단동위원소 질량: 251.93976

이름 및 식별자

우선 이름: 4'-Bromo-2,2,2-trifluoroacetophenone
IUPAC: 1-(4-bromophenyl)-2,2,2-trifluoroethanone
현지명: 4'-브로모-2,2,2-트리플루오로아세토펜온
영어명: 4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE
분자식: C8H4BrF3O
분자량: 253.02

이름 및 동의어

16184-89-74'-Bromo-2,2,2-trifluoroacetophenoneDTXSID00345342RefChem:95927DTXCID50296416629-304-71-(4-Bromophenyl)-2,2,2-trifluoroethanone1-(4-bromophenyl)-2,2,2-trifluoroethan-1-oneEthanone, 1-(4-bromophenyl)-2,2,2-trifluoro-MFCD001918621-(4-Bromo-phenyl)-2,2,2-trifluoro-ethanone1-(4-bromophenyl)-2,2,2-trifluoro-ethanone

이름 더 보기

4'-브로모-2,2,2-트리플루오로아세토펜온4-bromo-α,α,α-trifluoroacetophen-Bromo-2,2,2-trifluoroacetophenone4-bromo-α,α,α-trifluoroacetophenone4'-Bromo-2,2,2-trifluoroacetophenone?New4'-Bromo-2,2,2-trifluoroacetophenone 99%4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE, >=98%1-(4-broMophenyl)-2,2,2-trifluoro-1-ethanone

2,2,2-TRIFLUORO-4'-BROMOACETOPHENONE4-TrifluoroacetylbromobenzeneSCHEMBL172164 inverted exclamation mark -Bromo-2,2,2-trifluoroacetophenoneCS-M1418CL8645SBB1011964'-Bromo-2,2,2-trifluoracetophenone

데이터베이스 식별자

CAS: 16184-89-7
PubChem CID: 603866
DTXSID: DTXSID00345342
EC Number: 629-304-7
Nikkaji: J899.344K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 194

물리화학적 성질

녹는점: 26 · 26-30 °C(lit.)
끓는 점: 95 °C4 · 95 °C4 mm Hg(lit.)
밀도: 1.662 g/mL · 1.662 g/mL at 25 °C(lit.)
굴절률: 1.461 · 1.4610 (estimate)
인화점: 205 °F · 205 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 저융점 결정
색상: 무색
수용성: 물에 약간 용해됩니다.
BRN: 1956460 · 1956460
InChI: InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey: IHGSAQHSAGRWNI-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Br)C=C1)C(F)(F)F

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Bromo-2,2,2-trifluoroacetophenone may be used in the preparation of carbonyl-bridged bithiazole derivatives. Also used as a reagent to synthesize MK-5046, a selective Bombesin receptor subtype-3 agonist used to treat obesity.