2'-Hydroxybenzophenone
기본 정보
- CAS
117-99-7- 표준 SMILES
O=C(c1ccccc1)c1ccccc1O- InChIKey
HJIAMFHSAAEUKR-UHFFFAOYSA-N- 분자식
- C13H10O2
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.06807956
이름 및 식별자
- 우선 이름
- 2'-Hydroxybenzophenone
- IUPAC
- (2-hydroxyphenyl)-phenylmethanone
- 영어명
- 2-Hydroxybenzophenone
- 분자식
- C13H10O2
- 분자량
- 198.22
이름 및 동의어
2-Hydroxybenzophenone117-99-7o-Benzoylphenol2-BenzoylphenolO-HYDROXYBENZOPHENONEMethanone, (2-hydroxyphenyl)phenyl-Benzophenone, 2-hydroxy-2'-HydroxybenzophenonePhenyl 2-Hydroxyphenyl ketone(2-Hydroxyphenyl)phenylmethanoneDTXSID5047879NSC 623
이름 더 보기
Hydroxybenzophenone2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone
NSC-623EINECS 204-226-2DTXCID5027855O-HYDROXYPHENYL PHENYL KETONEoBenzoylphenoloHydroxybenzophenoneBenzophenone, 2hydroxyRefChem:439684
데이터베이스 식별자
- CAS
117-99-7- PubChem CID
- 8348
- DTXSID
DTXSID5047879- ChEMBL
CHEMBL24743- UNII
- LQV22W4V05
- EC Number
- 204-226-2
- Nikkaji
- J102.213J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials PropertiesChemical shift
LogP3.52
Vapor Pressure0.00001 [mmHg]
Physical DescriptionPowder; mp = 37-39 deg C; [Alfa Aesar MSDS]
Collision Cross Section143.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047879]
물리화학적 성질
- 녹는점
- 37 · 37-39 °C (lit.)
- 끓는 점
- 171 · 171-173 °C/12 mmHg (lit.)
- 밀도
- 1.1184 · 1.1184 (rough estimate)
- 굴절률
- 1.5954 · 1.5954 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 8.07 · 8.07±0.30(Predicted)
- 물리적 상태
- 결정성 분말
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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: Methanone, (2-hydroxyphenyl)phenyl-
Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29145000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, (2-hydroxyphenyl)phenyl-: ACTIVE
응용 분야
용도2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.
일반 설명2-Hydroxybenzophenone forms copolymer 2-hydroxy, 3-allyl, 4,4′-dimethoxybenzophenone with methyl methacrylate.It forms photostabilizer compounds with 2,2,6,6-tetramethylpiperidine under phase transfer catalysis conditions. It reacts with 3-aminophenyl boronic acid to form macrocyclic boronates.
제조 방법
Preparation by Friedel–Crafts acylation of benzene in the presence of aluminium chloride, with 2-hydroxybenzoyl chloride (salicylic acid chloride), (52%), (39%), at temperature with o-anisoyl chloride. Demethylation occurred during the Friedel–Crafts acylation, especially in the presence of ferric chloride at 130–140°; with 2-ethoxybenzoyl chloride in a boiling water bath (42%).
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