2-브로모-4'-하이드록시아세토페논
2-Bromo-1-(4-hydroxyphenyl)ethanone
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기본 정보
- CAS
2491-38-5- 표준 SMILES
O=C(CBr)c1ccc(O)cc1- InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N- 분자식
- C8H7BrO2
- 평균 분자량
- 215.04 g/mol
- 단동위원소 질량
- 213.96294
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
2-Bromo-1-(4-hydroxyphenyl)ethan-1-one4-Hydroxyphenacyl bromideptp inhibitor ialpha-Bromo-4-hydroxyacetophenone168693-83-22-Bromo-4/'-hydroxyacetophenoneMFCD00072424CHEMBL102952
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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 139
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
- 산도 계수 (pKa)
- 7.69 · 7.69±0.15(Predicted)
- 색상
- 흰색~밝은 베이지
- BRN
- 1865388 · 1865388
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
화학 및 산업
용도 및 제조
Uses
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
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.
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