4-Aminobenzophenone (HCID 14346)

名称と識別子

優先名称: 4-Aminobenzophenone
IUPAC: (4-aminophenyl)-phenylmethanone
現地名: 4-アミノベンゾフェノン
英語名: 4-Aminobenzophenone
分子式: C13H11NO
分子量: 197.23

名称と別名

4-Aminobenzophenone1137-41-3Methanone, (4-aminophenyl)phenyl-p-AminobenzophenoneBenzophenone, 4-amino-p-BenzoylanilineUSAF A-233NSC 76659VH7LQN5JEEINECS 214-506-6BRN 0389292AI3-03267

名称をさらに表示

4-アミノベンゾフェノン4'-アミノベンゾフェノンp-アミノベンゾフェノン4-ベンゾイルベンゼンアミン4‐アミノベンゾフェノン4-ベンゾイルアニリン4′-アミノベンゾフェノンPABusafa-2334-aminobenzopenoneTIMTEC-BB SBB003574AMINOBENZOPHENONE-4

NSC-7665DTXSID80615574-14-00-00248 (Beilstein Handbook Reference)RefChem:518192DTXCID0033332214-506-6(4-aminophenyl)(phenyl)methanone4-BENZOYLANILINE

データベース識別子

CAS: 1137-41-3
PubChem CID: 14346
DTXSID: DTXSID8061557
ChEMBL: CHEMBL314211
UNII: 9VH7LQN5JE
EC Number: 214-506-6
Nikkaji: J43.314D

物性

構造計算による物性

XLogP: 2.7
極性表面積: 43.1 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: 213

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: 121 · 121-124 °C (lit.)
沸点: 246 °C · 246 °C (12.7517 mmHg)
比重(密度): 1.0957 · 1.0957 (rough estimate)
屈折率: 1.605 · 1.6050 (estimate)
闪点: 245 · 245-247°C/22mm
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 微結晶性粉末
酸解離定数(Pka): 1 · pK1: 2.15(+1) (25°C)
色: 黄色
水溶解度: 冷水、アルコール、エーテルに溶ける。
BRN: 389292 · 389292
InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(N)C=C1)(C1=CC=CC=C1)=O
CAS データベース: 1137 · 1137-41-3(CAS DataBase Reference)
EPAの化学物質情報: Methanone, (4-aminophenyl)phenyl- (1137-41-3)

化学的性質

化学的特性YELLOW FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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 CategoriesAcute Tox. 4 (91.3%)

安全データ

F: 8-10-23
wgk: 3
tsca: TSCA listed
rtecs: DJ0175000
hs_code: 29223990
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationMethanone, (4-aminophenyl)phenyl-: ACTIVE

応用分野 · 2 件

使用4-Aminobenzophenone is associated with 4-benzoylpyridine and it is used as a frequency doubler for semiconductor lasers. It is used in the preparation of 1-[4-[N,N-bis(trimethylsilyl)amino]phenyl]-1-phenylethylene. It is used as a precursor to prepare 1,2,3-triazoles, pyrimidotriazoles, benzothiazole and pyrimidinone derivatives. It is involved in the formation of coordination complexes with chromium(III).

一般的な説明4-Aminobenzophenone (4-ABP) is the best derivative of benzophenone with 260 times higher second harmonic generation (SHG) efficiency than potassium dihydrogen phosphate (KDP), growth of high quality bulk crystal still remains a difficult task.

調製方法

純化方法Dissolve it in aqueous acetic acid, filter and precipitate it with ammonia. This process is repeated several times, then the amine is recrystallised from aqueous EtOH. [Beilstein 14 IV 248.]