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Record Information
Version1.0
Creation Date2016-05-19 01:31:50 UTC
Update Date2016-11-09 01:09:16 UTC
Accession NumberCHEM003999
Identification
Common NameMethyl iodide
ClassSmall Molecule
DescriptionA member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • OSHA Hazardous Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
CH3IChEBI
IodmethanChEBI
Jod-methanChEBI
MeIChEBI
Methyl iodideChEBI
MethyliodidChEBI
MethyljodidChEBI
MonoiodmethanChEBI
MonoiodomethaneChEBI
Iodomethane-D3MeSH
Methyl iodide, 131I-labeledMeSH
Methyl iodide, 13C-labeledMeSH
Methyl iodide, 132I-labeledMeSH
Methyl iodide, 14C-labeledMeSH
Methyl iodide, 2H-labeledMeSH
Methyl iodide, 11C-labeledMeSH
Chemical FormulaCH3I
Average Molecular Mass141.939 g/mol
Monoisotopic Mass141.928 g/mol
CAS Registry Number74-88-4
IUPAC Nameiodomethane
Traditional Namemethyl iodide
SMILESCI
InChI IdentifierInChI=1S/CH3I/c1-2/h1H3
InChI KeyINQOMBQAUSQDDS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as halomethanes. These are organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassAlkyl halides
Sub ClassHalomethanes
Direct ParentHalomethanes
Alternative Parents
Substituents
  • Halomethane
  • Hydrocarbon derivative
  • Organoiodide
  • Alkyl iodide
  • 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 Solubility10.9 g/LALOGPS
logP1.2ALOGPS
logP1.56ChemAxon
logS-1.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.5 m³·mol⁻¹ChemAxon
Polarizability7.43 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-dfbfdbf31e4565f5245dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-dfbfdbf31e4565f5245dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-dfbfdbf31e4565f5245dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-68d07110dc8f8af9a84cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-68d07110dc8f8af9a84cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-68d07110dc8f8af9a84cView in MoNA
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 IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkIodomethane
Chemspider IDNot Available
ChEBI ID39282
PubChem Compound ID6328
Kegg Compound IDC18448
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=19806715
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=8750905