diazomethane

• ChemBase ID: 126952
• Molecular Formular: CH2N2
• Molecular Mass: 42.03998
• Monoisotopic Mass: 42.02179807
• SMILES: [N-]=[N+]=C
• Canonical SMILES: [N-]=[N+]=C
• InChI: InChI=1S/CH2N2/c1-3-2/h1H2
• InChIKey: YXHKONLOYHBTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diazomethane
• IUPAC Traditional name: diazomethane
• Synonyms: Diazomethane

Database IDs

• CAS Number: 334-88-3
• PubChem SID: 162221278
• PubChem CID: 9550
• Chemspider ID: 9176
• KEGG ID: C19387
• Wikipedia Title: Diazomethane

CALCULATED PROPERTIES

• Acid pKa: 9.567384
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9753246
• LogD (pH = 7.4): -1.9759942
• Log P: -1.975316
• Molar Refractivity: 9.007 cm^3
• Polarizability: 3.8841608 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hydrolysis in water
• Apperance: Yellow gas
• Melting Point: -145 °C
• Boiling Point: -23 °C
• Density: 1.4 (air=1)

Safety Information

• Risk Statements: R12 R19 R22 R66 R67
• Safety Statements: S9 S16 S29 S33
• Main Hazard: toxic and explosive