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2,4-Dinitrofluorobenzene

CAT: 1596-AR-M02537-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02537-03Size:250 Units
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CAS Number
70-34-8
Synonyms
Dinitrofluorobenzene; DNFB;2,4-Dinitro-1-fluorobenzene; Sanger's Reagent; Fluoro-2,4-dinitrobenzene;2,4-Dinitrobenzenefluoride;2,4-Dinitrophenyl fluoride; Fluorodinitrobenzene; Benzene, 1-fluoro-2,4-dinitro-;2,4-Dinitrobenzene fluoride;2,4-DNFB;1-fluoro-2,4-dinitro-benzene; Benzene, 2,4-dinitro-1-fluoro-; DFB (VAN) ; Fluorodinitrobenzene (VAN) ;1,2,4-Fluorodinitrobenzene; Isotretinoin impurity
Molecular Formula
C6H3FN2O4
Molecular Weight
186.1
API Name
Isotretinoin

Chemical Information

Dinitrofluorobenzene

1-fluoro-2,4-dinitrobenzene is the organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. It has a role as an agrochemical, an allergen, a chromatographic reagent, a protein-sequencing agent, an EC 2.7.3.2 (creatine kinase) inhibitor and a spectrophotometric reagent. It is a C-nitro compound and an organofluorine compound.

CAS Number70-34-8
PubChem CID6264
IUPAC Name1-fluoro-2,4-dinitrobenzene
Molecular FormulaC6H3FN2O4
Molecular Weight186.10
XLogP1.6
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity224
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey
LOTKRQAVGJMPNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dinitrofluorobenzene
CAS: 70-34-8
CID: 6264
Formula: C6H3FN2O4
MW: 186.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.10
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass186.00768474
Monoisotopic Mass186.00768474
Topological Polar Surface Area91.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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