1-Fluoro-2,4-dinitrobenzene
Properties
- Molecular formula
- C6H3FN2O4
- Molar mass
- 186.10 g/mol
- Exact mass
- 186.0077 Da
- Density
- 1.4718 g/mL (at 54 °C)
- Melting point
- 25.8 °C
- Boiling point
- 296 °C
- Flash point
- 112.8 °C
- Water solubility
- 400 mg/L (25 °C)
- logP
- 1.64Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed12% of notifiers
- H302 Harmful if swallowed84% of notifiers
- H311 Toxic in contact with skin12% of notifiers
- H315 Causes skin irritation94% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage10% of notifiers
- H319 Causes serious eye irritation88% of notifiers
- H330 Fatal if inhaled10% of notifiers
- H335 May cause respiratory irritation88% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure88% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
70-34-8SMILES
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1InChIKey
LOTKRQAVGJMPNV-UHFFFAOYSA-NInChI
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzene, 1-fluoro-2,4-dinitro-
- DFB
- 2,4-Dinitrofluorobenzene
- 2,4-Dinitro-1-fluorobenzene
- DNFB
- FDNB
- Dinitrofluorobenzene
- Fluorodinitrobenzene
- 2,4-Dinitrobenzene fluoride
- 2,4-Dinitrophenyl fluoride
- 4-Fluoro-1,3-dinitrobenzene
- NSC 33519
- Sanger's reagent
Work with 1-Fluoro-2,4-dinitrobenzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,4-Difluoronitrobenzene369-34-672 % similar
2,5-Difluoronitrobenzene364-74-970 % similar
4-Fluoro-3-nitrophenol2105-96-664 % similar
4-Chloro-1-fluoro-2-nitrobenzene345-18-664 % similar
3-Chloro-4-fluoronitrobenzene350-30-164 % similar
4-Bromo-1-fluoro-2-nitrobenzene364-73-864 % similar
1-Fluoro-4-iodo-2-nitrobenzene364-75-064 % similar
4-Fluoro-3-nitroaniline364-76-164 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.