4-Fluoro-1-methyl-2-nitrobenzene
Properties
- Molecular formula
- C7H6FNO2
- Molar mass
- 155.13 g/mol
- Exact mass
- 155.0383 Da
- Density
- 1.359 g/mL (at 20 °C)
- Melting point
- 27 °C
- Boiling point
- 213 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed98% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation95.9% of notifiers
- H319 Causes serious eye irritation95.9% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation93.9% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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
446-10-6SMILES
Cc1ccc(F)cc1[N+](=O)[O-]InChIKey
SKWTUNAAJNDEIK-UHFFFAOYSA-NInChI
InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 4-fluoro-1-methyl-2-nitro-
- Toluene, 4-fluoro-2-nitro-
- 4-Fluoro-2-nitrotoluene
- 1-Fluoro-4-methyl-3-nitrobenzene
- 2-Nitro-4-fluorotoluene
- 2-Methyl-5-fluoronitrobenzene
- NSC 60725
Work with 4-Fluoro-1-methyl-2-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
4-Fluoro-2-methyl-1-nitrobenzene446-33-383 % similar
4-Fluoro-1,2-dinitrobenzene364-53-467 % similar
2,4-Dinitrotoluene121-14-266 % similar
1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-066 % similar
1,4-Dimethyl-2-nitrobenzene89-58-766 % similar
1-Fluoro-5-methyl-2,4-dinitrobenzene349-01-964 % similar
4-Fluoro-1-iodo-2-nitrobenzene364-77-264 % similar
4-Iodo-2-nitrotoluene41252-97-564 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
Methyl 5-fluoropyridine-2-carboxylate107504-07-4
6-Fluoronicotinic acid methyl ester1427-06-1
2-Fluoro-1-methyl-4-nitrobenzene1427-07-2
3-Amino-4-fluorobenzoic acid2365-85-7
1-Fluoro-3-methyl-2-nitrobenzene3013-27-2
5-Fluoro-2-methoxynicotinaldehyde351410-62-3
2-Amino-6-fluorobenzoic acid434-76-4
2-Fluoro-1-methyl-3-nitrobenzene437-86-5