2-ヒドロキシ-5-メチルベンゾフェノン

2-Hydroxy-5-methylbenzophenone

HCID 73851

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1470-57-1
標準SMILES: Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
分子式: C14H12O2
平均分子量: 212.24 g/mol
単同位体質量: 212.08372962

名称と識別子

優先名称: 2-Hydroxy-5-methylbenzophenone
IUPAC: (2-hydroxy-5-methylphenyl)-phenylmethanone
現地名: 2-ヒドロキシ-5-メチルベンゾフェノン
英語名: 2-Hydroxy-5-methylbenzophenone
分子式: C14H12O2
分子量: 212.24

名称と別名

2-Hydroxy-5-methylbenzophenone1470-57-12-Benzoyl-4-methylphenolMethanone, (2-hydroxy-5-methylphenyl)phenyl-5-Methyl-2-hydroxybenzophenoneDTXSID9047881NSC-296NSC 29685W615BMP7Benzophenone, 2-hydroxy-5-methyl-EINECS 216-002-1(2-Hydroxy-5-methylphenyl)phenylmethanone

名称をさらに表示

2-ヒドロキシ-5-メチルベンゾフェノン5-メチル-2-ヒドロキシベンゾフェノン2-ヒドロキシ-5-メチルフェニル(フェニル)メタノン2-ベンゾイル-4-メチルフェノールRARECHEM FH 1L 00642- Hyroxy-5-methyl benzophenone2'-Hydroxy-5'-Methylbenzophenone2'-HYDROXY 5'-METHYL BENZOPHENONE2-Hydroxy-5-methylbenzophenone>2-Hydroxy-5-methylbenzophenone 99%

DTXCID5027857RefChem:473279216-002-1(2-hydroxy-5-methylphenyl)(phenyl)methanone(2-hydroxy-5-methylphenyl)-phenylmethanoneMFCD00002379NSC2962-Hydroxy-5-methylbenzophenone, 99%

データベース識別子

CAS: 1470-57-1
PubChem CID: 73851
DTXSID: DTXSID9047881
ChEMBL: CHEMBL25139
UNII: 85W615BMP7
EC Number: 216-002-1
Nikkaji: J206.675K

物性

構造計算による物性

XLogP: 3.9
極性表面積: 37.3 Å²
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: 16
形式電荷: 0
複雑度: 243

物理化学的性質

融点: 83 · 83-85 °C (lit.)
沸点: 312.08 °C · 312.08°C (rough estimate)
比重(密度): 1.1035 · 1.1035 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
酸解離定数(Pka): 8.24 · 8.24±0.43(Predicted)
外見: powder to crystal
色: Light orange to Yellow to Green
InChI: 1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(c1)C(=O)c2ccccc2
CAS データベース: 1470 · 1470-57-1(CAS DataBase Reference)

化学的性質

化学的特性yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29145000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用2-Hydroxy-5-methylbenzophenone is a general reagent used in the synthesis of anti-bacterial and anti-fungal agents.

調製方法 · 1 件

製造方法Preparation by condensation of benzotrichloride with p-cresol, in the presence of aluminium chloride in carbon disulfide for 2 h (75%). The 6,12-diphenyl-2,8-dimethyl-6,12-epoxy-6H,12H-dibenzo[b,f] dioxocin, an intermediate compound, was also formed under these conditions (29%). This “dioxocin”, by hydrolysis with concentrated sulfuric acid at r.t., gave the expected ketone (91%); in the presence of aqueous sodium hydroxide in a water bath for 4 h (33%) or in 32–40% aqueous sodium hydroxide at 70–80° (67%).