4-[(E)-2-(3-carboxy-1-cyano-1-methylpropyl)diazen-1-yl]-4-cyano-4-methylbutanoic acid

• ChemBase编号: 103037
• 分子式: C12H16N4O4
• 平均质量: 280.27984
• 单一同位素质量: 280.11715501
• SMILES: CC(CCC(=O)O)(/N=N/C(C)(CCC(=O)O)C#N)C#N
• Canonical SMILES: N#CC(/N=N/C(C#N)(CCC(=O)O)C)(CCC(=O)O)C
• InChI: InChI=1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)
• InChIKey: VFXXTYGQYWRHJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(E)-2-(3-carboxy-1-cyano-1-methylpropyl)diazen-1-yl]-4-cyano-4-methylbutanoic acid; 4-[2-(3-carboxy-1-cyano-1-methylpropyl)diazen-1-yl]-4-cyano-4-methylbutanoic acid
• IUPAC传统名: 4-[(E)-2-(3-carboxy-1-cyano-1-methylpropyl)diazen-1-yl]-4-cyano-4-methylbutanoic acid; 4-[2-(3-carboxy-1-cyano-1-methylpropyl)diazen-1-yl]-4-cyano-4-methylbutanoic acid
• 别名: 4,4'-偶氮二(4-氰基戊酸); 4,4'-偶氮双(4-氰基戊酸); 4,4'-Azobis(4-cyanopentanecarboxylic Acid); 4,4'-Azobis(cyanovaleric Acid); 4,4'-Azobis[4-cyanopentanoic Acid]; 4,4'-Azobis[4-cyanovaleric Acid]; ABCPA; ACV-A; Azobis(cyanovaleric Acid); NC 25; NSC 114466; V 501; VA 501; Vazo 68; Vazo 68WSP; 4,4'-(1,2-Diazenediyl)bis[4-cyanopentanoic Acid; 4,4′-Azobis(4-cyanovaleric Acid); ABCVA; 4,4′-Azobis(4-cyanopentanoic acid); 4,4′-Azobis(4-cyanovaleric acid); 4,4'-Azo-bis(4-cyanopentanoic acid); ACVA; 4,4'-AZO-bis(4-CYANOVALERIC ACID); 4,4-Azobis(4-cyanovaleric acid); 4,4-Azobis(cyanovaleric acid); 4,4'-Azobis(4-cyanopentanoic acid); 4,4'-(Diazene-1,2-diyl)bis(4-cyanopentanoic acid)

登记号

• CAS号: 2638-94-0
• EC号: 220-135-0
• MDL号: MFCD00002799
• Beilstein号: 1729856
• PubChem SID: 24847247; 162089804; 24847360; 24847250
• PubChem CID: 92938
• Chemspider ID: 83896
• 维基百科标题: 4,4'-Azobis(4-cyanopentanoic_acid)

理论计算性质

• Acid pKa: 1.762776
• 质子受体: 8
• 质子供体: 2
• LogD (pH = 5.5): -5.7948327
• LogD (pH = 7.4): -6.481422
• Log P: 0.56406665
• 摩尔折射率: 66.9164 cm^3
• 极化性: 25.466064 Å^3
• 极化表面积: 146.9 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: White crystalline powder
• 熔点: 118-125 °C (dec.); 118-125 °C (dec.)(lit.); 118–125 °C

安全信息

• 保存条件: 2-8°C
• RTECS编号: YV6190500
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1325; UN1325
• 德国WGK号: 2
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11; R: 11
• 安全公开号: 15-16-22-24/25-36; S: 15-16-22-24/25-36
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H228
• GHS警示性声明: P210
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~98%; ≥75%; ≥97.0% (calc. based on dry substance, T); ≥98.0% (T); 97%
• 级别: purum
• 杂质: ≤1% water
• 其他组分: ~15% water as stabilizer
• 品质说明: moistened with water
• 线性分子式: HOCOCH2CH2C(CH3)(CN)N=NC(CH3)(CN)CH2CH2COOH

详细说明

MP Biomedicals - 02150412

Crystalline
Purity: ~ 98%

Sigma Aldrich - 11590

Application
自由基引发剂，69°C 时的半衰期：10 小时（水中）
包装
100 g in poly bottle
25 g in glass bottle

Sigma Aldrich - 118168

Application
聚合物合成自由基引发剂。1
自由基引发剂
Other Notes
残留有水分
包装
25, 100 g in glass bottle

Toronto Research Chemicals - A932500

4,4′-Azobis(4-cyanovaleric Acid) is a water soluble azo initiator usded in radical polymerization process of vinyls, acylamides, styrenes as well as other polymers.

参考文献

• Nita, L. et al.: Rev. Roum. Chim., 56, 537 (2011)
• Ray, G. et al.: Ind. J. Chem., 9, 1124 (2011)