4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline

• ChemBase编号: 109711
• 分子式: C17H20N2O
• 平均质量: 268.3535
• 单一同位素质量: 268.15756327
• SMILES: CN(C)c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
• InChIKey: VVBLNCFGVYUYGU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline
• IUPAC传统名: 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline; michler's ketone
• 别名: 4,4′-双(二甲氨基)二苯甲酮; Michler 酮; 米氏酮; 4,4'-bis(DIMETHYLAMINO)BENZOPHENONE; 4,4′-Bis(dimethylamino)benzophenone; Michler’s ketone; 4,4'-Bis(dimethylamino)benzophenone; Michler's Ketone; 4-{[4-(dimethylamino)phenyl]carbonyl}-N,N-dimethylaniline

登记号

• CAS号: 90-94-8
• EC号: 202-027-5
• MDL号: MFCD00008312
• Beilstein号: 790733
• 默克索引号: 146177
• PubChem SID: 24848830; 162090485; 24885973
• PubChem CID: 7031

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.641342
• LogD (pH = 7.4): 3.6485937
• Log P: 3.6486866
• 摩尔折射率: 85.4907 cm^3
• 极化性: 31.646404 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ethanol: soluble5 mg/mL, clear
• 熔点: 172°C; 172-175 °C; 173-176 °C; 174 - 176°C; 174-176 °C(lit.); 174-176°C
• 沸点: >360°C
• 闪点: 220°C(428°F)
• 疏水性(logP): 3.914

安全信息

• RTECS编号: DJ0250000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 45-41-68; R:45
• 安全公开号: 53-45; S:28-36/37/39-45-53
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS08
• GHS警示词: Danger
• GHS危险声明: H318-H341-H350; H350-H341-H318
• GHS警示性声明: P201-P280-P305 + P351 + P338-P308 + P313; P280-P281-P305+P351+P338-P310-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥96.0% (NT); ≥99.0% (HPLC); 95%; 98%
• 级别: puriss.; purum
• 燃烧残渣: ≤0.05%
• 线性分子式: [(CH3)2NC6H4]2CO

详细说明

MP Biomedicals - 05212306

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 147834

包装
100, 500 g in poly bottle

参考文献

• Photosensitizer. For details of use in the photodimerization of 1,3-butadiene to 1,2-divinylcyclobutane, see: Org. Synth. Coll., 5, 528 (1973).
• Used in the Gilman color test for the presence of Grignard reagents; Org. Synth. Coll., 1, 190 (1941).