4,4'-Dihydroxybenzophenone
기본 정보
- CAS
611-99-4- 표준 SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
RXNYJUSEXLAVNQ-UHFFFAOYSA-N- 분자식
- C13H10O3
- 평균 분자량
- 214.22 g/mol
- 단동위원소 질량
- 214.06299418
개요
4,4'-Dihydroxybenzophenone is a member of benzophenones.
이름 및 식별자
- 우선 이름
- 4,4'-Dihydroxybenzophenone
- IUPAC
- bis(4-hydroxyphenyl)methanone
- 영어명
- 4,4'-Dihydroxybenzophenone
- 분자식
- C13H10O3
- 분자량
- 214.22
이름 및 동의어
4,4'-Dihydroxybenzophenone611-99-4bis(4-hydroxyphenyl)methanoneMethanone, bis(4-hydroxyphenyl)-Bis(4-hydroxyphenyl) ketoneHBP (ketone)4,4'-dihydoxy-benzophenone4,4'-Dihydroxydiphenyl ketoneBis(p-hydroxy)benzophenonep,p'-DihydroxybenzophenoneBenzophenone, 4,4'-dihydroxy-NSC 2831
이름 더 보기
DHBPHbpHEBPBis(4-hydroxy)benzophenone4,4’-dihydroxy-benzophenonVGLPRO29004,4'-DHBP
BRN 18745724,4'dihydroxybenzophenoneHZR7D31SBYAI3-00127EINECS 210-288-1CCRIS 9457NSC-28314-08-00-02452 (Beilstein Handbook Reference)
데이터베이스 식별자
- CAS
611-99-4- PubChem CID
- 69150
- DTXSID
DTXSID1022425- ChEMBL
CHEMBL194859- ChEBI
CHEBI:34365- UNII
- HZR7D31SBY
- EC Number
- 210-288-1
- Nikkaji
- J39.681H
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzophenones
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 213 · 213-215 °C(lit.)
- 끓는 점
- 314.35 °C · 314.35°C (rough estimate)
- 밀도
- 1.133 · 1.1330
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.509 · 1.5090 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 7.67 · 7.67±0.15(Predicted)
- 색상
- 미색부터 베이지까지
- 수용성
- 불용성
- BRN
- 1874572 · 1874572
- InChI
- 1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (84.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4,4'-dihydroxybenzophenone (EC: 210-288-1)
Methanone, bis(4-hydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (84.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DJ0880000
- HS 번호
- 29145000
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37-37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, bis(4-hydroxyphenyl)-: ACTIVE
응용 분야
용도4,4'-Dihydroxybenzophenone is as a UV light stabilizer. It and its derivatives are found in cosmetics, plastics, films, adhesives and coatings, optical fiber, and printed circuit boards. It is the precursor to certain polycarbonate polymers.
제조 방법
Preparation by demethylation of 4,4′ -dimethoxy-benzophenone with aluminium bromide in refluxing benzene for 4 h (88%).
상·하류 제품 정보
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