4-Bromophenacyl bromide (HCID 7454)

이름 및 식별자

우선 이름: 4-Bromophenacyl bromide
IUPAC: 2-bromo-1-(4-bromophenyl)ethanone
현지명: 2,4'-디브로모아세토페논
영어명: 2,4'-Dibromoacetophenone
분자식: C8H6Br2O
분자량: 277.94

이름 및 동의어

2,4'-Dibromoacetophenone99-73-04-Bromophenacyl bromidep-Bromophenacyl bromideEthanone, 2-bromo-1-(4-bromophenyl)-2,4-dibromoacetophenoneParabromophenacyl bromidePN0FRW1G4ZDTXSID4059201NSC-6224bromophenacylbromidePBPAB

이름 더 보기

2,4'-디브로모아세토페논PBPBp-bromophenacyl-8AKOS BBS-00000865GSK-3β Inhibitor VII

alpha-para-dibromoacetophenoneRefChem:858009DTXCID4049111202-783-6bromophenacyl bromide2-Bromo-1-(4-bromophenyl)ethanone2-bromo-1-(4-bromophenyl)ethan-1-one2-bromo-1-(4-bromophenyl)-ethanone

데이터베이스 식별자

CAS: 99-73-0
PubChem CID: 7454
DTXSID: DTXSID4059201
ChEMBL: CHEMBL142826
UNII: PN0FRW1G4Z
EC Number: 202-783-6
Nikkaji: J3.227A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Physical DescriptionSolid; [Merck Index] Off-white crystalline powder with a pungent odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 108 · 108-110 °C(lit.)
끓는 점: 1415 °C/760mm · 1415°C/760mm
밀도: 1.7855 · 1.7855 (rough estimate)
굴절률: 1.556 · 1.5560 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 5 mg/ml; · DMF: 5 mg/ml; DMSO: 2 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): insol
물리적 상태: 결정질 고체
색상: 약간 노란색~베이지색
수용성: 디메틸설폭사이드(5mg/ml), 메탄올(20mg/ml), 톨루엔 및 에탄올에 용해됩니다. 물에 불용성.
Merck: 14 · 14,1427
BRN: 607604 · 607604
안정성: 안정적인. 강염기, 강환원제, 강산화제와 호환되지 않습니다.
InChI: 1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(Br)cc1
EPA: 2 · Ethanone, 2-bromo-1-(4-bromophenyl)- (99-73-0)

화학적 성질

2,4'-Dibromoacetophenone is off-white crystals or powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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 49 reports by companies from 4 notifications to the ECHA C&L Inventory.；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

Regulatory Information · 2건

Chemical: Ethanone, 2-bromo-1-(4-bromophenyl)-

2,4'-Dibromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See alpha-Chloroacetophenone.

Hazard Classes and CategoriesSkin Corr. 1C (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

규제 정보

Regulatory Information · 2건

Chemical: Ethanone, 2-bromo-1-(4-bromophenyl)-

2,4'-Dibromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: AM6950000
ridadr: UN 3261 8/PG 2
HS 번호: 29147090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 19-21
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

용도 및 제조

UsesUsed to identify carboxylic acids; [Merck Index] Phospholipidase A(2) inhibitor. [ChemIDplus]

General Manufacturing InformationEthanone, 2-bromo-1-(4-bromophenyl)-: ACTIVE

응용 분야 · 2건

용도2,4'-Dibromoacetophenone is used as a reagent for analysis of fatty acids by HPLC as 4-bromophenacyl esters, for use in the protection of phenols and carboxylic acids. It undergoes condensation reactions with aldehydes in the presence of SnCl2 or SmI3 to afford α,β-unsaturated ketones. It is also useful in the esterification of carboxylic acids.

일반 설명A phenyl α-bromomethyl ketone compound that acts as a cell-permeable, and non-ATP competitive inhibitor of GSK-3β (IC50 = 0.5 μM). This reactive alkylating agent is selective towards GSK-3β and does not affect PKA activity even at concentrations as high as 100 μM.