2,4-Difluoronitrobenzene
Properties
- Molecular formula
- C6H3F2NO2
- Molar mass
- 159.09 g/mol
- Exact mass
- 159.0132 Da
- Melting point
- 9.8 °C
- Boiling point
- 207 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin12% of notifiers
- H315 Causes skin irritation94% of notifiers
- H319 Causes serious eye irritation96% of notifiers
- H330 Fatal if inhaled10% of notifiers
- H335 May cause respiratory irritation92% 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, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
446-35-5SMILES
O=[N+]([O-])c1ccc(F)cc1FInChIKey
RJXOVESYJFXCGI-UHFFFAOYSA-NInChI
InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 2,4-difluoro-1-nitro-
- 2,4-Difluoro-1-nitrobenzene
- 1,3-Difluoro-4-nitrobenzene
- 1-Nitro-2,4-difluorobenzene
- NSC 10259
- 1,5-Difluoro-2-nitrobenzene
Work with 2,4-Difluoronitrobenzene
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
4-Fluoro-1,2-dinitrobenzene364-53-475 % similar
3-Fluoro-4-nitrobenzaldehyde160538-51-265 % similar
2-Chloro-4-fluoro-1-nitrobenzene2106-50-564 % similar
5-Fluoro-2-nitrobenzenamine2369-11-164 % similar
3-Fluoro-4-nitrobenzenamine2369-13-364 % similar
4-Bromo-2-fluoro-1-nitrobenzene321-23-364 % similar
3-Fluoro-4-nitrophenol394-41-264 % similar
4-Fluoro-2-methyl-1-nitrobenzene446-33-364 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
1,3-Difluoro-2-nitrobenzene19064-24-5
1,3-Difluoro-5-nitrobenzene2265-94-3
2,5-Difluoronitrobenzene364-74-9
3,4-Difluoronitrobenzene369-34-6
1,2-Difluoro-3-nitrobenzene6921-22-8
3,5-Difluoropyridine-2-carboxylic acid745784-04-7
2,3-Difluoropyridine-4-carboxylic acid851386-31-7
3,5-Difluoropyridine-4-carboxylic acid903522-29-2