CAS 90-96-0 4,4'-Dimethoxybenzophenone (HCID 7032)

概要

structure in first source

名称と識別子

優先名称: 4,4'-Dimethoxybenzophenone
IUPAC: bis(4-methoxyphenyl)methanone
現地名: 4,4'-ジメトキシベンゾフェノン
英語名: 4,4'-Dimethoxybenzophenone
分子式: C15H14O3
分子量: 242.27

名称と別名

4,4'-Dimethoxybenzophenone90-96-0XM6ZQ9ZM6ENSC-4191DTXSID50237985RefChem:96264DTXCID00160476202-028-0Bis(4-methoxyphenyl)methanoneMFCD00008404Methanone, bis(4-methoxyphenyl)-P,P'-DIMETHOXYBENZOPHENONE

名称をさらに表示

4,4'-ジメトキシベンゾフェノンビス(p-メトキシフェニル)メタノンビス(4-メトキシフェニル)ケトン4,4’-ジメトキシベンゾフェノン4，4’ジメトキシベンゾフェノン4,4′-ジメトキシベンゾフェノン4,4′‐ジメトキシベンゾフェノンビス(4-メトキシフェニル)メタノンジ(4-メトキシフェニル)ケトンp,p′-ジメトキシベンゾフェノン4,4-DimethoxybenzopLABOTEST-BB LT00160175Di(4-methoxyphenyl) ketone

4,4 inverted exclamation mark -DimethoxybenzophenoneDmbpDi-p-anisyl ketoneBenzophenone, 4,4'-dimethoxy-Bis(p-methoxy)benzophenonedi4-methoxyphenyl ketoneBis(p-anisyl) ketoneBis(4-anisyl) ketone

データベース識別子

CAS: 90-96-0
PubChem CID: 7032
DTXSID: DTXSID50237985
ChEMBL: CHEMBL2413410
UNII: XM6ZQ9ZM6E
EC Number: 202-028-0
Nikkaji: J42.325D

物性

構造計算による物性

XLogP: 3.6
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 235

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 141 · 141-143 °C (lit.)
沸点: 200 °C17 · 200 °C17 mm Hg(lit.)
比重(密度): 1.1515 · 1.1515 (rough estimate)
屈折率: 1.557 · 1.5570 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 粉
色: ややベージュから黄色
水溶解度: 水に溶けず、エタノールに溶ける。
BRN: 1878026 · 1878026
InChI: InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)=O
CAS データベース: 90 · 90-96-0(CAS DataBase Reference)
NISTの化学物質情報: P,p'-dimethoxybenzophenone(90-96-0)

化学的性質

化学的特性white to light yellow crystal 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Methanone, bis(4-methoxyphenyl)-

4,4'-Dimethoxybenzophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29145000
risk_code: 36/37/38
化審法: (4)-1467
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

一般的な説明Photoreactivity of 4,4′-dimethoxybenzophenone with 2-aminobenzimidazole has been examined. It is an ultraviolet absorbing additive in plastic products.

調製方法

製造方法btained by photocatalytic oxidation of 4,4–′-dimethoxybenzhydrol (m.p. 69–71°) catalyzed by H3PW12O40/SiO2 in acetonitrile under oxygen atmosphere at r.t. for 1 h (90%).

純化方法Crystallise the ketone from absolute EtOH, aqueous EtOH or EtOH/AcOH. The 2,4-dinitrophenylhydrazone has m 199-200o. [Beilstein 8 H 317, 8 I 641, 8 II 355, 8 III 2649, 8 IV 2453.]