CHEBI:142281 - 2-chloro-6-nitrotoluene

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ChEBI Name 2-chloro-6-nitrotoluene ChEBI ID CHEBI:142281 Definition A nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group.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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6ClNO2 Net Charge 0 Average Mass 171.581 Monoisotopic Mass 171.00871 InChI InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 InChIKey XCSNRORTQRKCHB-UHFFFAOYSA-N SMILES C1(=C(C(=CC=C1)[N+](=O)[O-])C)Cl ChEBI Ontology Outgoing 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 Sources 2-chloro-6-nitrotoluene UniProt 3-chloro-2-methylnitrobenzene ChemIDplus 6,2-chloronitrotoluene NIST Chemistry WebBook 6-chloro-2-nitrotoluene ChemIDplus Manual Xref Database CPD-18115 MetaCyc View more database links Registry Numbers Types Sources 1239924 Reaxys Registry Number Reaxys 83-42-1 CAS Registry Number NIST Chemistry WebBook 83-42-1 CAS Registry Number ChemIDplus Citations Types Sources 11823201 PubMed citation SUBMITTER 21522365 PubMed citation Europe PMC Last Modified 20 September 2018