2'-Hydroxybenzophenone (HCID 8348)

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 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: 15
形式電荷: 0
複雑度: 219

実験および物理化学的性質

Vapor Pressure0.00001 [mmHg]

Physical DescriptionPowder; mp = 37-39 deg C; [Alfa Aesar MSDS]

Collision Cross Section143.4 Å² [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
水溶解度: 不溶性
BRN: 1638174 · 1638174
InChI: InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H
InChIKey: HJIAMFHSAAEUKR-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1O)(C1=CC=CC=C1)=O
CAS データベース: 117 · 117-99-7(CAS DataBase Reference)
NISTの化学物質情報: Methanone, (2-hydroxyphenyl)phenyl-(117-99-7)
EPAの化学物質情報: Methanone, (2-hydroxyphenyl)phenyl- (117-99-7)

化学的性質

化学的特性yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

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%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)

法規制情報

Regulatory Information · 2 件

Chemical: Methanone, (2-hydroxyphenyl)phenyl-

Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

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 · 2 件

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 · 1 件

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

4-ヒドロキシベンゾフェノン 2-ヒドロキシベンズヒドロール 2(3H)-Benzofuranone,3-phenyl-2-ヨードベンゾフェノン酢酸2-ホルミルフェニル 3-ヒドロキシベンゾフェノンクロモン-3-カルボキシアルデヒドフェニルボロン酸フェノールクロトンアルデヒド（トランス）ヨードベンゼン 2-ヨードフェノール

下流製品

2-ベンジルフェノール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

2-ヒドロキシベンゾフェノン

基本情報