1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine

• ChemBase编号: 146224
• 分子式: C17H16N8O8
• 平均质量: 460.35774
• 单一同位素质量: 460.10910951
• SMILES: c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N/N=C/CCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1N/N=C/CCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C17H16N8O8/c26-22(27)12-4-6-14(16(10-12)24(30)31)20-18-8-2-1-3-9-19-21-15-7-5-13(23(28)29)11-17(15)25(32)33/h4-11,20-21H,1-3H2
• InChIKey: QAUJHIMXYLFORD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine
• IUPAC传统名: 1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine
• 别名: 戊二醛双(2,4-二硝基苯腙); 戊二醛2,4-二硝基苯腙; 戊二醛双(2,4-二硝基苯腙); Glutaraldehyde bis(2,4-dinitrophenylhydrazone); Glutaraldehyde 2,4-dinitrophenylhydrazone; Glutaraldehyde bis(2,4-dinitrophenylhydrazone)

登记号

• CAS号: 5085-07-4
• MDL号: MFCD00209588
• PubChem SID: 24866969; 162240423; 24892231
• PubChem CID: 9659690

理论计算性质

• Acid pKa: 12.750641
• 质子受体: 12
• 质子供体: 2
• LogD (pH = 5.5): 5.000025
• LogD (pH = 7.4): 5.012384
• Log P: 5.018519
• 摩尔折射率: 119.0614 cm^3
• 极化性: 40.676853 Å^3
• 极化表面积: 232.06 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 196-197 °C(lit.)

安全信息

• 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: 26-36
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 99%
• 级别: analytical standard, for environmental analysis; BCR® certified Reference Material
• 线性分子式: CH2[CH2CH=NNHC6H3(NO2)2]2
• Empirical Formula (Hill Notation): C17H16N8O8

详细说明

Sigma Aldrich - 431125

包装
20 mg in glass bottle

Sigma Aldrich - BCR550

法律信息
BCR 注册商标 European Commission