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CHEBI:142281 - 2-chloro-6-nitrotoluene

ChEBI IDCHEBI:142281
ChEBI Name2-chloro-6-nitrotoluene
Stars
DefinitionA nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 °C) solid.
Last Modified24 July 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6ClNO2
Net Charge0
Average Mass171.583
Monoisotopic Mass171.00871
SMILESCc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChIKeyXCSNRORTQRKCHB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-chloro-6-nitrotoluene (CHEBI:142281) is a monochlorobenzenes (CHEBI:83403)
2-chloro-6-nitrotoluene (CHEBI:142281) is a nitrotoluene (CHEBI:25566)
2-chloro-6-nitrotoluene (CHEBI:142281) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
1-chloro-2-methyl-3-nitrobenzene
Synonyms  Source
3-chloro-2-methylnitrobenzeneChemIDplus
6-chloro-2-nitrotolueneChemIDplus
6,2-chloronitrotolueneNIST Chemistry WebBook
UniProt Name  Source
2-chloro-6-nitrotolueneUniProt
Manual XrefsDatabases
CPD-18115MetaCyc
Registry NumbersSources
Reaxys:1239924Reaxys
CAS:83-42-1ChemIDplus
CAS:83-42-1NIST Chemistry WebBook
Citations