N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline

• ChemBase编号: 108075
• 分子式: C18H15N3
• 平均质量: 273.3318
• 单一同位素质量: 273.1265975
• SMILES: N(c1ccccc1)c1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1
• InChI: InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
• InChIKey: VXLFYNFOITWQPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline; N-phenyl-4-(2-phenyldiazen-1-yl)aniline
• IUPAC传统名: N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline; N-phenyl-4-(2-phenyldiazen-1-yl)aniline
• 别名: 4-苯基偶氮二苯胺; 4-Phenylazodiphenylamine; 4-(Phenylazo)diphenylamine; 4-Anilinoazobenzene; N-Phenyl-4-phenylazoaniline; 4-BENZENEAZODIPHENYLAMINE; N-Phenyl-4-phenylazoaniline; 4-(Phenylazo)diphenylamine

登记号

• CAS号: 101-75-7
• EC号: 202-972-3
• MDL号: MFCD00003023
• Beilstein号: 749359
• PubChem SID: 162095068; 24853732; 24887264
• PubChem CID: 7575

理论计算性质

• Acid pKa: 19.782839
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 5.819042
• LogD (pH = 7.4): 5.819065
• Log P: 5.819065
• 摩尔折射率: 88.8632 cm^3
• 极化性: 32.345295 Å^3
• 极化表面积: 36.75 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 80-86°C; 87-91 °C; 89-91 °C(lit.)
• 紫外吸收波长: λmax 411 nm

安全信息

• RTECS编号: JK0185000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 26-36; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (HPLC); 97%
• 级别: purum
• 线性分子式: C6H5N=NC6H4NHC6H5
• Empirical Formula (Hill Notation): C18H15N3

详细说明

MP Biomedicals - 05205990

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 78164

Other Notes
Indicator employed in the assay of Grignard and organolithium reagents1

Sigma Aldrich - 229164

包装
5, 25 g in glass bottle