4-(Dimethylamino)benzophenone (HCID 10737)

名称と識別子

優先名称: 4-(Dimethylamino)benzophenone
IUPAC: [4-(dimethylamino)phenyl]-phenylmethanone
現地名: 4-(ジメチルアミノ)ベンゾフェノン
英語名: 4-(Dimethylamino)benzophenone
分子式: C15H15NO
分子量: 225.29

名称と別名

4-(DIMETHYLAMINO)BENZOPHENONEp-Dimethylaminobenzophenone4-Dimethylaminobenzophenone4-benzoyl-N,N-dimethylanilineMethanone, [4-(dimethylamino)phenyl]phenyl-UNII-G8988HD9YEEINECS 208-478-4NSC 15962NSC-15962G8988HD9YEDTXSID1060188Methanone, (4-(dimethylamino)phenyl)phenyl-

名称をさらに表示

4-(ジメチルアミノ)ベンゾフェノン4-ベンゾイル-N,N-ジメチルアニリン4-ジメチルアミノベンゾフェノン4‐(ジメチルアミノ)ベンゾフェノンP-(ジメチルアミノ)ベンゾフェノン4-ジメチルアミノベンゾフェノン, 98%4-Dimethylaminobenzophenonp-Benzoyl-N,N-dimethylanilineP-(DIMETHYLAMINO)BENZOPHENONEN,N-DIMETHYL AMINO BENZOPHENONEBenzophenone, 4-(dimethylamino)-4-(Dimethylamino)benzophenone>4-(N,N-DIMETHYLAMINO)BENZOPHENONE4-(Dimethylamino)benzophenone,98%

NSC-28935Benzenamine,N,N-dimethyl-4-(phenylmethanone)-N,N-DIMETHYL-P-AMINOBENZOPHENONEP-DIMETHYLAMINOBENZOPHENONE [MI](4-(DIMETHYLAMINO)PHENYL)PHENYLMETHANONERefChem:97439DTXCID7041334BEUGBYXJXMVRFO-UHFFFAOYSA-N

データベース識別子

CAS: 530-44-9
PubChem CID: 10737
DTXSID: DTXSID1060188
ChEMBL: CHEMBL1502306
UNII: G8988HD9YE
EC Number: 208-478-4
Nikkaji: J79.645J

物性

構造計算による物性

XLogP: 3.5
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 248

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

物理化学的性質

融点: 88 · 88-90 °C(lit.)
沸点: 250 °C · 250 °C / 15mmHg
比重(密度): 1.0463 · 1.0463 (rough estimate)
屈折率: 1.52 · 1.5200 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: powder to crystal
酸解離定数(Pka): 2.12 · 2.12±0.12(Predicted)
色: White to Light yellow to Green
水溶解度: 不溶性
Merck: 14 · 14,3233
InChI: 1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey: BEUGBYXJXMVRFO-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(=O)c2ccccc2
CAS データベース: 530 · 530-44-9(CAS DataBase Reference)
NISTの化学物質情報: 4 · Methanone, [4-(dimethylamino)phenyl]phenyl-(530-44-9)
EPAの化学物質情報: 4 · Methanone, [4-(dimethylamino)phenyl]phenyl- (530-44-9)

化学的性質

化学的特性YELLOW CRYSTALLINE POWDER OR CRYSTALS

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 45 reports by companies from 5 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
tsca: TSCA listed
hs_code: 29223900
risk_code: 36/37/38
hazard_code: Xi
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

用途と製造

General Manufacturing InformationMethanone, [4-(dimethylamino)phenyl]phenyl-: ACTIVE

応用分野

用途有機合成用原料。

使用4-(Dimethylamino)benzophenone is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

調製方法 · 1 件

純化方法Crystallise the pale green p-dimethylaminobenzophenone from EtOH. Dissolve 100g in 600mL of boiling EtOH, add 5g of charcoal, cool, isolate the solid by centrifugation and similarly wash the pale crystals with ice-cold EtOH. When filtered by suction, EtOH solution remains on the crystals and turns deep green in air. Dry it in a vacuum and store it in the dark. The hydrazone has m 128-130o and forms a ketyl with potassium. [Hurd & Webb Org Synth Coll Vol I 217 1941, Beilstein 14 H 82, 14 I 288, 14 III 218, 14 IV 248.]