2,5-Difluoronitrobenzene
Properties
- Molecular formula
- C6H3F2NO2
- Molar mass
- 159.09 g/mol
- Exact mass
- 159.0132 Da
- Melting point
- −11.7 °C
- Boiling point
- 206.5 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed16.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation98% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure10.2% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
364-74-9SMILES
O=[N+]([O-])c1cc(F)ccc1FInChIKey
XNJAYQHWXYJBBD-UHFFFAOYSA-NInChI
InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1,4-difluoro-2-nitro-
- 1,4-Difluoro-2-nitrobenzene
- 2,5-Difluoro-1-nitrobenzene
- 2-Nitro-1,4-difluorobenzene
- NSC 528657
Work with 2,5-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-dinitrobenzene364-53-471 % similar
1-Fluoro-2,4-dinitrobenzene70-34-870 % similar
4-Fluoro-3-nitrophenol2105-96-666 % similar
4-Chloro-1-fluoro-2-nitrobenzene345-18-666 % similar
4-Bromo-1-fluoro-2-nitrobenzene364-73-866 % similar
1-Fluoro-4-iodo-2-nitrobenzene364-75-066 % similar
4-Fluoro-3-nitroaniline364-76-166 % similar
4-Fluoro-3-nitrotoluene446-11-766 % 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
3,4-Difluoronitrobenzene369-34-6
2,4-Difluoronitrobenzene446-35-5
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