Record Information
Version1.0
Creation Date2016-05-19 01:37:54 UTC
Update Date2016-11-09 01:09:18 UTC
Accession NumberCHEM004221
Identification
Common NameDiazomethane
ClassSmall Molecule
DescriptionThe simplest diazo compound, in which a diazo group is attached to a methylene group.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • OSHA Hazardous Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
AcomethyleneChEBI
AzimethyleneChEBI
DiazirineChEBI
Diazonium methylideChEBI
EINECS 206-382-7ChEBI
Chemical FormulaCH2N2
Average Molecular Mass42.040 g/mol
Monoisotopic Mass42.022 g/mol
CAS Registry Number334-88-3
IUPAC Namediazomethane
Traditional Namediazomethane
SMILESC=[N+]=[N-]
InChI IdentifierInChI=1S/CH2N2/c1-3-2/h1H2
InChI KeyYXHKONLOYHBTNS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as diazo compounds. These are organic compounds having the divalent diazo group, =N+=N-, attached to a carbon atom.
KingdomOrganic compounds
Super ClassOrganic 1,3-dipolar compounds
ClassPropargyl-type 1,3-dipolar organic compounds
Sub ClassDiazo compounds
Direct ParentDiazo compounds
Alternative Parents
Substituents
  • Diazo compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility13.3 g/LALOGPS
logP0.25ALOGPS
logP-2ChemAxon
logS-0.5ALOGPS
pKa (Strongest Acidic)9.57ChemAxon
pKa (Strongest Basic)-7.9ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.01 m³·mol⁻¹ChemAxon
Polarizability3.61 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-adae53adf9fd155a1b03Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-4a10346abbe8b1e787c2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-b57ebfd696db89986401Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-0efa4b84f5d49fb5b1d6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-2d8e2b790ad274c79ca5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-4b75e30fcf46244091f7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-bab4dfade106801fa61bSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0251153
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDiazomethane
Chemspider ID9176
ChEBI ID73716
PubChem Compound ID9550
Kegg Compound IDC19387
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=20885373
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21618376
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=6675207