1-(2,4-dinitrophenyl)-2-ethylidenehydrazine

• ChemBase编号: 156775
• 分子式: C8H8N4O4
• 平均质量: 224.17352
• 单一同位素质量: 224.05455476
• SMILES: C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3
• InChIKey: ONBOQRNOMHHDFB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine; (E)-1-(2,4-dinitrophenyl)-2-ethylidenehydrazine
• IUPAC传统名: 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine; (E)-1-(2,4-dinitrophenyl)-2-ethylidenehydrazine
• 别名: 乙醛-2,4-二硝基苯腙; 乙醛-2,4-二硝基苯腙; 乙醛-2,4-DNPH; Acetaldehyde-2,4-dinitrophenylhydrazone; Acetaldehyde (2,4-Dinitrophenyl)hydrazone; Ethanal-2,4-dinitrophenylhydrazone; NSC 403216; Acetaldehyde 2,4-Dinitrophenylhydrazone; Acetaldehyde-2,4-dinitrophenylhydrazone; Acetaldehyde-2,4-DNPH

登记号

• CAS号: 1019-57-4
• MDL号: MFCD00458721
• PubChem SID: 24866869; 24867851; 24892229; 162250912
• PubChem CID: 5367495

理论计算性质

• Acid pKa: 13.17087
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.2534413
• LogD (pH = 7.4): 2.2598298
• Log P: 2.262871
• 摩尔折射率: 58.1054 cm^3
• 极化性: 19.781273 Å^3
• 极化表面积: 116.03 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

• 熔点: 165-168 °C(lit.)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38-43
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H317-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 99%
• 级别: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material
• 包装: ampule of 100 mg
• 特征: standard type calibration
• 线性分子式: CH3CH=NNHC6H3(NO2)2

详细说明

Sigma Aldrich - BCR547

法律信息
BCR 注册商标 European Commission

Sigma Aldrich - 429554

包装
20 mg in glass bottle

Toronto Research Chemicals - A132700

Acetaldehyde 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic alldehyde found in mainstream cigarette smoke.

参考文献

• Zwiener, C. et al.: Anal. Bioanal. Chem., 372, 615 (2002)
• Delgado, B. et al.: J. Liq. Chrom. Rel. Technol., 31, 361 (2002)
• Miller, J.H. et al.: J. Chrom. Sci., 48, 12 (2002)