Bromomethyl 4-methoxyphenyl ketone

HCID 4965CAS 2632-13-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(C(=O)CBr)cc1
InChIKey
XQJAHBHCLXUGEP-UHFFFAOYSA-N
분자식
C9H9BrO2
평균 분자량
229.07 g/mol
단동위원소 질량
227.97859163

이름 및 식별자

우선 이름
Bromomethyl 4-methoxyphenyl ketone
IUPAC
2-bromo-1-(4-methoxyphenyl)ethanone
영어명
2-Bromo-4'-methoxyacetophenone
분자식
C9H9BrO2
분자량
229.07

이름 및 동의어

2632-13-52-Bromo-1-(4-methoxyphenyl)ethanoneEthanone, 2-bromo-1-(4-methoxyphenyl)-p-Methoxyphenacyl bromide4-Methoxyphenacyl bromideBromomethyl 4-methoxyphenyl ketonePV5M69J53HEINECS 220-118-8NSC-129010DTXSID20180934NSC 1290104Methoxyphenacyl bromide
이름 더 보기
2-BROMO-1-(4-METHOXYPHENYL)ETHAN-1-ONEPTP Inhibitor II4-methoxy phenecyl bromidePTP inhibitor 1AKOS BBS-000008172-Bromo-4-methoxyTIMTEC-BB SBB0077774-METHOXYPHENACYL BR2-Bromo-4'-methoxyac
RefChem:5703662Bromo4'methoxyacetophenoneomegaBromo4methoxyacetophenoneDTXCID60103425Ethanone, 2bromo1(4methoxyphenyl)220-118-8InChI=1/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H2-Bromo-4'-methoxyacetophenone

데이터베이스 식별자

CAS
2632-13-5
PubChem CID
4965
DTXSID
DTXSID20180934
ChEMBL
CHEMBL103009
UNII
PV5M69J53H
EC Number
220-118-8
Nikkaji
J192.152E

물성

구조 계산 물성

XLogP
2.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOff-white crystalline powder with an irritating odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
69 · 69-71 °C(lit.)
끓는 점
215.8 °C · 215.8°C (rough estimate)
밀도
1.4921 · 1.4921 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

off-white to light brown crystals or

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (95.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Bromo-4methoxyacetophenone: 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 4-Acetylanisole.
Hazard Classes and CategoriesSkin Corr. 1B (95.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
ridadr
UN 3261 8/PG 2
HS 번호
29147090
risk_code
34-36/37-36/37/38
hazard_code
C,Xi
safety_code
26-27-28-36/37/39-45-37/39

화학 및 산업

응용 분야

용도2-Bromo-4'-methoxyacetophenone is a α-haloacetophenone derivatives tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B.

제조 방법

Obtained by reaction of N-bromosuccinimide (NBS) with 4-methoxyacetophenone in the presence of trimethylsilyl trifluoromethanesulfonate (TMS-OTf) in acetonitrile at r.t. for 24 h (87%).

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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