N'-formylformohydrazide

• ChemBase ID: 71602
• Molecular Formular: C2H4N2O2
• Molecular Mass: 88.06536
• Monoisotopic Mass: 88.02727738
• SMILES: C(=O)NNC=O
• Canonical SMILES: O=CNNC=O
• InChI: InChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)
• InChIKey: POVXOWVFLAAVBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-formylformohydrazide
• IUPAC Traditional name: diformylhydrazine
• Synonyms: N'-Formylformic hydrazide; DIFORMYLHYDRAZINE; 1,2-Diformylhydrazine; 二甲酰肼

Database IDs

• CAS Number: 628-36-4
• EC Number: 211-040-5
• MDL Number: MFCD00003275
• PubChem SID: 162037090; 24893329
• PubChem CID: 12342

CALCULATED PROPERTIES

• Acid pKa: 10.524126
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7171388
• LogD (pH = 7.4): -1.7174242
• Log P: -1.7171351
• Molar Refractivity: 18.3508 cm^3
• Polarizability: 7.018457 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155°C; 155-157 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• RTECS: LQ8625000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: HCONHNHCHO

DETAILS

Sigma Aldrich - D103004

Packaging
25 g in glass bottle