benzohydrazide

• ChemBase ID: 53844
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: benzohydrazide
• IUPAC Traditional name: benzohydrazide
• Synonyms: 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; 苯甲酸肼; 苯酰肼; 苯甲酰肼; 苯酰肼

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 14.447376
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5265176
• LogD (pH = 7.4): 0.5273991
• Log P: 0.5274104
• Molar Refractivity: 39.6205 cm^3
• Polarizability: 14.583781 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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

Safety Information

• Storage Warning: IRRITANT
• RTECS: DH1575000
• European Hazard Symbols: Toxic (T); X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38; 40; R:22
• Safety Statements: 26-45; 36/37; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H351
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥96.0% (NT); 95+%; 98%
• Grade: purum
• Linear Formula: C6H5CONHNH2

DETAILS

MP Biomedicals - 05214091

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B13071

Packaging
25, 100 g in poly bottle

Toronto Research Chemicals - B208235

Benzoyl Hydrazine is an acyl hydrazide as potent antioxidant.

REFERENCES

• 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).