benzohydrazide

• ChemBase编号: 53844
• 分子式: C7H8N2O
• 平均质量: 136.15122
• 单一同位素质量: 136.06366289
• SMILES: c1cccc(c1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccccc1
• InChI: InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
• InChIKey: WARCRYXKINZHGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzohydrazide
• IUPAC传统名: benzohydrazide
• 别名: 苯甲酸肼; 苯酰肼; 苯甲酰肼; 苯酰肼; Benzoic acid hydrazide; Benzoic acid hydrazide; Benzhydrazide; Benzoylhydrazine; Benzhydrazide; benzohydrazide; 4-Benzoic Hydrazide; Benzenecarboxylic Acid Hydrazide; Benzhydrazide; Benzohydrazide; Benzoic Hydrazide; INHd 14; N-Benzoylhydrazine; NSC 644; Benzoyl Hydrazine

登记号

• CAS号: 613-94-5
• EC号: 210-363-9
• MDL号: MFCD00007596
• Beilstein号: 471797
• PubChem SID: 162058607; 24847442; 24891580
• PubChem CID: 11955

理论计算性质

• Acid pKa: 14.447376
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.5265176
• LogD (pH = 7.4): 0.5273991
• Log P: 0.5274104
• 摩尔折射率: 39.6205 cm^3
• 极化性: 14.583781 Å^3
• 极化表面积: 55.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 112-114 °C; 112-114 °C(lit.); 113-117°C

安全信息

• 保存注意事项: IRRITANT
• RTECS编号: DH1575000
• 欧盟危险性物质标志: 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25-36/37/38; 40; R:22
• 安全公开号: 26-45; 36/37; S:36/37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335; H351
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338; P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥96.0% (NT); 95+%; 98%
• 级别: purum
• 线性分子式: C6H5CONHNH2

详细说明

MP Biomedicals - 05214091

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B13071

包装
25, 100 g in poly bottle

Toronto Research Chemicals - B208235

Benzoyl Hydrazine is an acyl hydrazide as potent antioxidant.

参考文献

• Bolann, B., et al.: Bio. Chem. J., 243, 55 (1987)
• Mishra, L., et al.: Bio. Med. Chem., 3, 1241 (1987)
• Metwally, K., et al.: Bio. Med. Chem., 14, 8675 (1987)
• Azim, M., et al.: Bioorg. Med. Chem. Lett., 18, 3011 (1987)
• Hydrazides can be reduced to aldehydes with NaBH₄ in the presence of CuCl₂. For benzhydrazide, an 82% yield was reported: Org. Prep. Proced. Int., 20, 405 (1988).
• Reacts with aldehydes to form benzoylhydrazones. These have been reported as useful, stable surrogates of unstable imines in allylation, Mannich-type and cyanide addition reactions: J. Org. Chem., 64, 8054 (1999).