2-ヒドロキシベンゾフェノン
2'-Hydroxybenzophenone
基本情報
- CAS
117-99-7- 標準SMILES
O=C(c1ccccc1)c1ccccc1O- InChIKey
HJIAMFHSAAEUKR-UHFFFAOYSA-N- 分子式
- C13H10O2
- 平均分子量
- 198.22 g/mol
- 単同位体質量
- 198.06807956
名称と識別子
- 優先名称
- 2'-Hydroxybenzophenone
- IUPAC
- (2-hydroxyphenyl)-phenylmethanone
- 現地名
- 2-ヒドロキシベンゾフェノン
- 英語名
- 2-Hydroxybenzophenone
- 分子式
- C13H10O2
- 分子量
- 198.22
名称と別名
2-Hydroxybenzophenone117-99-7o-Benzoylphenol2-BenzoylphenolO-HYDROXYBENZOPHENONEMethanone, (2-hydroxyphenyl)phenyl-Benzophenone, 2-hydroxy-2'-HydroxybenzophenonePhenyl 2-Hydroxyphenyl ketone(2-Hydroxyphenyl)phenylmethanoneDTXSID5047879NSC 623
名称をさらに表示
2-ヒドロキシベンゾフェノンo-ヒドロキシベンゾフェノン2'-ヒドロキシベンゾフェノンo-ベンゾイルフェノール2-ベンゾイルフェノール2ヒドロキシベンゾフェノン（2-ヒドロキシフェニル）（フェニル）メタノン2‐ヒドロキシベンゾフェノン2′-ヒドロキシベンゾフェノンHydroxybenzophenone2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone
NSC-623EINECS 204-226-2DTXCID5027855O-HYDROXYPHENYL PHENYL KETONEoBenzoylphenoloHydroxybenzophenoneBenzophenone, 2hydroxyRefChem:439684
データベース識別子
- CAS
117-99-7- PubChem CID
- 8348
- DTXSID
DTXSID5047879- ChEMBL
CHEMBL24743- UNII
- LQV22W4V05
- EC Number
- 204-226-2
- Nikkaji
- J102.213J
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 219
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 37 · 37-39 °C (lit.)
- 沸点
- 171 · 171-173 °C/12 mmHg (lit.)
- 比重(密度)
- 1.1184 · 1.1184 (rough estimate)
- 屈折率
- 1.5954 · 1.5954 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 酸解離定数(Pka)
- 8.07 · 8.07±0.30(Predicted)
- 外見
- 結晶性粉末
- 色
- 黄色
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing InformationMethanone, (2-hydroxyphenyl)phenyl-: ACTIVE
応用分野
使用2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.
一般的な説明2-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.
調製方法
製造方法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%).
上流・下流製品情報
上流原料
関連反応
22 件
化合物ノート
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