1-Fluoro-3-nitrobenzene
Properties
- Molecular formula
- C6H4FNO2
- Molar mass
- 141.10 g/mol
- Exact mass
- 141.0226 Da
- Density
- 1.3272 g/mL (at 17.2 °C)
- Melting point
- 41 °C
- Boiling point
- 199 °C
- logP
- 1.73Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed97.8% of notifiers
- H311 Toxic in contact with skin97.8% of notifiers
- H315 Causes skin irritation10.9% of notifiers
- H319 Causes serious eye irritation10.9% of notifiers
- H330 Fatal if inhaled13% of notifiers
- H331 Toxic if inhaled87% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure97.8% of notifiers
Aggregated from 46 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
402-67-5SMILES
O=[N+]([O-])c1cccc(F)c1InChIKey
WMASLRCNNKMRFP-UHFFFAOYSA-NInChI
InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-fluoro-3-nitro-
- m-Fluoronitrobenzene
- 3-Fluoronitrobenzene
- m-Nitrofluorobenzene
- 3-Nitrofluorobenzene
- 3-Fluoro-1-nitrobenzene
- m-Nitrobenzofluoride
- NSC 60651
- 1-Nitro-3-fluorobenzene
Work with 1-Fluoro-3-nitrobenzene
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
1,3-Dinitrobenzene99-65-072 % similar
1,3-Difluoro-5-nitrobenzene2265-94-367 % similar
1-Bromo-3-nitrobenzene585-79-563 % similar
3-Nitrochlorobenzene121-73-360 % similar
3-Nitrobiphenyl2113-58-858 % similar
Bis(3-nitrophenyl) disulfide537-91-758 % similar
3-Nitrophenol554-84-758 % similar
1-Iodo-3-nitrobenzene645-00-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
5-Fluoropyridine-2-carboxylic acid107504-08-5
3-Fluoro-5-hydroxypicolinaldehyde1227515-00-5
1-Fluoro-2-nitrobenzene1493-27-2
3-Fluoropyridine-2-carboxylic acid152126-31-3
4-Fluoronitrobenzene350-46-9
3-Fluoropyridine-4-carboxylic acid393-53-3
2-Fluoronicotinic acid393-55-5
2-Fluoroisonicotinic acid402-65-3