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CHEBI:142283 - 2-chloro-4-nitrotoluene

ChEBI IDCHEBI:142283
ChEBI Name2-chloro-4-nitrotoluene
Stars
DefinitionA nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes.
Last Modified20 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6ClNO2
Net Charge0
Average Mass171.583
Monoisotopic Mass171.00871
SMILESCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKeyLLYXJBROWQDVMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-chloro-4-nitrotoluene (CHEBI:142283) is a monochlorobenzenes (CHEBI:83403)
2-chloro-4-nitrotoluene (CHEBI:142283) is a nitrotoluene (CHEBI:25566)
IUPAC Name 
2-chloro-1-methyl-4-nitrobenzene
Synonyms  Source
3-chloro-4-methylnitrobenzeneNIST Chemistry WebBook
o-chloro-p-nitrotolueneChEBI
2-chloro-4-nitro-1-methylbenzeneChemIDplus
2,4-chloronitrotolueneNIST Chemistry WebBook
UniProt Name  Source
2-chloro-4-nitrotolueneUniProt
Manual XrefsDatabases
CPD-18113MetaCyc
EP0071038Patent
Registry NumbersSources
Reaxys:1817924Reaxys
CAS:121-86-8ChemIDplus
CAS:121-86-8NIST Chemistry WebBook
Citations