(E,E)-bis(phenylmethylidene)hydrazine

• ChemBase编号: 8798
• 分子式: C14H12N2
• 平均质量: 208.25848
• 单一同位素质量: 208.10004839
• SMILES: N(=C\c1ccccc1)/N=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=N/N=C/c1ccccc1
• InChI: InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
• InChIKey: CWLGEPSKQDNHIO-JOBJLJCHSA-N

名称和登记号

名称

• IUPAC标准名: (E,E)-bis(phenylmethylidene)hydrazine; bis(phenylmethylidene)hydrazine
• IUPAC传统名: benzalazine; bis(phenylmethylidene)hydrazine
• 别名: 苯甲醛吖嗪; 1-Benzaldehyde Azine; 2-(Phenylmethylene)hydrazone Benzaldehyde; 1,4-Diphenyl-2,3-diaza-1,3-butadiene; 1,4-Diphenylformalazine; Benzaldazin; Benzaldazine; Benzylideneazine; Dibenzalhydrazine; Dibenzylidenehydrazine; Eusolex 6653; NSC 3269; N,N'-Dibenzalhydrazine; Benzalazine; trans,trans-Benzaldehyde azine; BENZALAZINE; Benzaldehyde azine

登记号

• CAS号: 588-68-1; 28867-76-7
• EC号: 209-627-6
• MDL号: MFCD00016876
• Beilstein号: 2208840
• PubChem SID: 160972105
• PubChem CID: 5324610

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.4402583
• LogD (pH = 7.4): 3.4402583
• Log P: 3.4402583
• 摩尔折射率: 67.7982 cm^3
• 极化性: 25.091228 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate; Methanol
• 外观: Pale Yellow Solid
• 熔点: 91-93°C; 91-95°C; 92-93 °C(lit.); 92-94°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT, IRRITANT-HARMFUL
• RTECS编号: CU7571500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37; 26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 99%
• 线性分子式: C6H5CH=NN=CHC6H5

详细说明

Toronto Research Chemicals - B183745

Intermediate used in the synthesis of a variety of antibacterial and antifungal activities of symmetric and asymmetric azines.

参考文献

• Veena, K., et al.: E-J.Chem, 8, 354 (2011)