2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol

• ChemBase编号: 111184
• 分子式: C14H12N2O2
• 平均质量: 240.25728
• 单一同位素质量: 240.08987763
• SMILES: Oc1ccccc1/C=N/N=C/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/C=N/N=C/c1ccccc1O
• InChI: InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H
• InChIKey: STOVYWBRBMYHPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol; 2-[(1E)-[(E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]phenol
• IUPAC传统名: 2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol; 2-[(1E)-[(E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]phenol
• 别名: 水杨醛吖嗪; 2-Hydroxybenzaldehyde azine; Salicylaldehyde azine; SALICYLALDAZINE; 2-Hydroxybenzaldehyde 2-[(2-Hydroxyphenyl)methylene]hydrazone; 2,2'-Dihydroxybenzalazine; Bis[2-hydroxybenzaldehyde] Hydrazone; N,N'-Bis(salicylidene)hydrazine; NSC 695048; NSC 864; Salazine; Salicylalazine; Salicylaldazine; Salicylazine; o-Hydroxybenzaldazine; Salicylaldehyde Azine

登记号

• CAS号: 959-36-4
• EC号: 213-500-0
• MDL号: MFCD00043496
• Beilstein号: 1913597
• PubChem SID: 162103029
• PubChem CID: 5376968

理论计算性质

• Acid pKa: 8.372578
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.8325493
• LogD (pH = 7.4): 2.788364
• Log P: 2.8331277
• 摩尔折射率: 71.76 cm^3
• 极化性: 26.24472 Å^3
• 极化表面积: 65.18 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

• 外观: Yellow Solid
• 熔点: 213°C; 216-220°C; 218-220°C

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - S087500

Hydrazone derivative with anthelminthic activity.

参考文献

• Molodykh, Zh.V., et al.: Khimiko-Farmatsevticheskii Zhurnal, 11, 81 (1977)