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CHEBI:87406 - p-nitrobenzyl chloride

ChEBI IDCHEBI:87406
ChEBI Namep-nitrobenzyl chloride
Stars
ASCII Namep-nitrobenzyl chloride
DefinitionA C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group.
Last Modified19 August 2015
Submittergemma
DownloadsMolfile
FormulaC7H6ClNO2
Net Charge0
Average Mass171.583
Monoisotopic Mass171.00871
SMILESO=[N+]([O-])c1ccc(CCl)cc1
InChIInChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKeyKGCNHWXDPDPSBV-UHFFFAOYSA-N
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
p-nitrobenzyl chloride (CHEBI:87406) has role mutagen (CHEBI:25435)
p-nitrobenzyl chloride (CHEBI:87406) is a C-nitro compound (CHEBI:35716)
p-nitrobenzyl chloride (CHEBI:87406) is a benzyl chlorides (CHEBI:59852)
IUPAC Name 
1-(chloromethyl)-4-nitrobenzene
Synonyms  Source
p-(chloromethyl)nitrobenzeneNIST Chemistry WebBook
4-nitrobenzyl chlorideChemIDplus
α-chloro-p-nitrotolueneNIST Chemistry WebBook
α-chloro-4-nitrotolueneNIST Chemistry WebBook
4-(chloromethyl)nitrobenzeneChemIDplus
Registry NumbersSources
Reaxys:387187Reaxys
CAS:100-14-1ChemIDplus
CAS:100-14-1NIST Chemistry WebBook
Citations