CHEBI:53049 - 1-fluoro-2,4-dinitrobenzene

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ChEBI Name 1-fluoro-2,4-dinitrobenzene
ChEBI ID CHEBI:53049
Definition The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H3FN2O4
Net Charge 0
Average Mass 186.09740
Monoisotopic Mass 186.008
InChI InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey LOTKRQAVGJMPNV-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O
Roles Classification
Biological Role(s): EC 2.7.3.2 (creatine kinase) inhibitor
An EC 2.7.3.* (phosphotransferases with a nitrogenous group as acceptor) inhibitor that interferes with the action of creatine kinase, EC 2.7.3.2.
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
protein-sequencing agent
Any agent used to determine the amino-acid sequence in a polypeptide.
chromatographic reagent
A reagent used to improve selectivity in chromatographic analyses or separations, e.g. by formation of a derivative or by modification of the mobile phase.
spectrophotometric reagent
A reagent used in the determination by spectrophotometry of the concentration of a chemical element or chemical compound in solution.
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ChEBI Ontology
Outgoing 1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role agrochemical (CHEBI:33286)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role allergen (CHEBI:50904)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role chromatographic reagent (CHEBI:59745)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role EC 2.7.3.2 (creatine kinase) inhibitor (CHEBI:73354)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role protein-sequencing agent (CHEBI:73352)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) has role spectrophotometric reagent (CHEBI:73618)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) is a C-nitro compound (CHEBI:35716)
1-fluoro-2,4-dinitrobenzene (CHEBI:53049) is a organofluorine compound (CHEBI:37143)
IUPAC Name
1-fluoro-2,4-dinitrobenzene
Synonyms Sources
1,2,4-Fluorodinitrobenzene NIST Chemistry WebBook
1-Fluoro-2,4-dinitrobenzene ChemIDplus
2,4-Dinitro-1-fluorobenzene ChemIDplus
2,4-Dinitrobenzene fluoride ChemIDplus
2,4-Dinitrobenzenefluoride ChemIDplus
2,4-Dinitrofluorobenzene ChemIDplus
2,4-Dinitrophenyl fluoride ChemIDplus
2,4-Dnfb NIST Chemistry WebBook
2,4-DNFB ChemIDplus
DFB NIST Chemistry WebBook
Dinitrofluorobenzene ChemIDplus
DNFB ChemIDplus
FDNB ChemIDplus
Fluoro-2,4-dinitrobenzene ChemIDplus
Fluorodinitrobenzene ChemIDplus
Database Links Databases
1-Fluoro-2,4-dinitrobenzene Wikipedia
CPD-8983 MetaCyc
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Registry Numbers Types Sources
398632 Beilstein Registry Number Beilstein
398632 Reaxys Registry Number Reaxys
564641 Gmelin Registry Number Gmelin
70-34-8 CAS Registry Number ChemIDplus
70-34-8 CAS Registry Number NIST Chemistry WebBook
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Last Modified
19 February 2014