CHEBI:77701 - nitromethane

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ChEBI Name nitromethane
ChEBI ID CHEBI:77701
Definition A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 °C), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula CH3NO2
Net Charge 0
Average Mass 61.04000
Monoisotopic Mass 61.016
InChI InChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey LYGJENNIWJXYER-UHFFFAOYSA-N
SMILES C[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
polar aprotic solvent
A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
Biological Role(s): EC 4.3.1.3 (histidine ammonia-lyase) inhibitor
An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3).
Application(s): polar aprotic solvent
A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
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ChEBI Ontology
Outgoing nitromethane (CHEBI:77701) has role EC 4.3.1.3 (histidine ammonia-lyase) inhibitor (CHEBI:77703)
nitromethane (CHEBI:77701) has role explosive (CHEBI:63490)
nitromethane (CHEBI:77701) has role polar aprotic solvent (CHEBI:48358)
nitromethane (CHEBI:77701) is a primary nitroalkane (CHEBI:133972)
nitromethane (CHEBI:77701) is a volatile organic compound (CHEBI:134179)
IUPAC Name
nitromethane
Synonyms Sources
CH3NO2 ChEBI
MeNO2 ChEBI
Manual Xrefs Databases
C19275 KEGG COMPOUND
CPD-8133 MetaCyc
Nitromethane Wikipedia
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Registry Numbers Types Sources
1698205 Reaxys Registry Number Reaxys
75-52-5 CAS Registry Number NIST Chemistry WebBook
75-52-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11100413 PubMed citation Europe PMC
21860501 PubMed citation Europe PMC
26735907 PubMed citation Europe PMC
26800205 PubMed citation Europe PMC
4207867 PubMed citation Europe PMC
999282 PubMed citation Europe PMC
Last Modified
15 December 2016