2-브로모-4'-하이드록시아세토페논

2-Bromo-1-(4-hydroxyphenyl)ethanone

HCID 4964CAS 2491-38-5

기본 정보

표준 SMILES
O=C(CBr)c1ccc(O)cc1
InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N
분자식
C8H7BrO2
평균 분자량
215.04 g/mol
단동위원소 질량
213.96294156

개요

electrochemical active reagent

이름 및 식별자

우선 이름
2-Bromo-1-(4-hydroxyphenyl)ethanone
IUPAC
2-bromo-1-(4-hydroxyphenyl)ethanone
현지명
2-브로모-4'-하이드록시아세토페논
영어명
2-Bromo-4'-hydroxyacetophenone
분자식
C8H7BrO2
분자량
215.04

이름 및 동의어

2491-38-52-bromo-1-(4-hydroxyphenyl)ethanone2-Bromo-4-hydroxyacetophenoneEthanone, 2-bromo-1-(4-hydroxyphenyl)-Busan 90DTXSID40345766H0QU4I6BA1-(4-Hydroxyphenyl)-2-bromoethanoneDTXCID2014576RefChem:4665594-HBE2-BROMO-4'-HYDROXYACETOPHENONE
이름 더 보기
2-브로모-4'-하이드록시아세토페논BHAPBUSAN90BUSAN1130Butrol 1130SHP-1 Inhibitor II4-HYDROXYPHENACYL BR4-(Bromoacetyl)phenol(+)-alpha-isolupanine
4-Hydroxyphenacyl bromide2-Bromo-1-(4-hydroxyphenyl)ethan-1-oneptp inhibitor iMFCD00072424168693-83-22-Bromo-4/'-hydroxyacetophenoneCHEMBL1029522-Bromo-1-(4-hydroxy-phenyl)-ethanone

데이터베이스 식별자

CAS
2491-38-5
PubChem CID
4964
DTXSID
DTXSID4034576
ChEMBL
CHEMBL102952
UNII
6H0QU4I6BA
EC Number
219-655-0
Nikkaji
J7.592B

물성

구조 계산 물성

XLogP
2.4
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biocides/Disinfectants
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.000011 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionReddish-brown odorless liquid; [Reference #1]

물리화학적 성질

녹는점
123 · 123-126°C
끓는 점
338.7 · 338.7±17.0 °C(Predicted)
밀도
1.622 · 1.622±0.06 g/cm3(Predicted)
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
백색분말

화학적 성질

Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

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

Ethanone, 2-bromo-1-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1건

Erythema and edema progressing to subcutaneous hemorrhage, eschar, scabbing, necrosis, and exfoliation were observed in 21 day dermal study of rabbits (no systemic toxicity observed); No evidence of developmental toxicity; [Reference #1] After a spill of this slimicide at a papermill, workers developed recurrent allergic contact dermatitis. [Kanerva, p. 1761]

Hazard Classes and CategoriesAcute Tox. 4 (97.2%)

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 190 mg/m3/4hr

안전 데이터

wgk
1
rtecs
AM5982000
ridadr
1760
HS 번호
2914500090
risk_code
22-36
hazard_code
C,Xn

화학 및 산업

용도 및 제조

Uses · 2건

Used as microbiocide/microbiostat for control of slime forming bacteria and fungi in water cooling systems, oil recovery drilling muds and secondary injection water, pulp and paper water systems, adhesives, coatings, latex paints, and wet-end additives, and industrial processing chemicals; [Reference #1]

Petroleum Production and Refining [Category: Industry]

응용 분야 · 2건

개요PTP Inhibitor I is a cell-permeable, protein tyrosine phosphatase (PTP) inhibitor that covalently blocks the catalytic domain of the Src homology region 2 domain-containing phosphatase (SHP-1(ΔSH2)) with a Ki value of 43 μM and PTP1B with a Ki value of 42 μM. SHP-1 and PTP1B both have known roles in regulating insulin signaling as well as myeloid and lymphoid cell differentiation, making inhibitors of these phosphatases of interest in diabetes, cancer, allergy, and inflammation research.

용도A covalent inhibitor of protein tyrosine phosphatases (PTPs)

제조 방법

Also obtained by reaction of pyridinium hydrobromide perbromide with 4-hydroxyacetophenone in THF at r.t. for 3 h.

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
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]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]

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