4-Fluoronitrobenzene
Properties
- Molecular formula
- C6H4FNO2
- Molar mass
- 141.10 g/mol
- Exact mass
- 141.0226 Da
- Density
- 1.33 g/mL (at 20 °C)
- Melting point
- 27 °C
- Boiling point
- 206–207 °C
- logP
- 1.73Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed88.2% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H317 May cause an allergic skin reaction37.3% of notifiers
- H319 Causes serious eye irritation10.8% of notifiers
- H331 Toxic if inhaled53.9% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure52.9% of notifiers
Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
350-46-9SMILES
O=[N+]([O-])c1ccc(F)cc1InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-NInChI
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1-fluoro-4-nitro-
- 1-Fluoro-4-nitrobenzene
- p-Nitrofluorobenzene
- p-Fluoronitrobenzene
- 1-Nitro-4-fluorobenzene
- 4-Nitrofluorobenzene
- 4-Fluoro-1-nitrobenzene
- 4-Nitro-1-fluorobenzene
- 4-Nitrophenyl fluoride
- NSC 10281
- para-Fluoronitrobenzene
Work with 4-Fluoronitrobenzene
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-4'-nitrobenzophenone2195-47-372 % similar
1,4-Dinitrobenzene100-25-471 % similar
4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar
1,3-Difluoro-5-nitrobenzene2265-94-362 % similar
1-Fluoro-3-nitrobenzene402-67-561 % similar
4-Nitropyridine1122-61-858 % similar
1,2-Bis(4-nitrophenyl)ethane736-30-158 % similar
4-Fluoro-1,2-dinitrobenzene364-53-457 % 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
3-Fluoropyridine-4-carboxylic acid393-53-3
2-Fluoronicotinic acid393-55-5
2-Fluoroisonicotinic acid402-65-3
5-Fluoronicotinic acid402-66-4