2-Fluoro-1-methyl-4-nitrobenzene

C₇H₆FNO₂CAS 1427-07-2155.13 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
Melting point: 34–35 °C
Boiling point: 65–68 °C (at 2 Torr)
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid85.1% of notifiers
H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin97.9% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, 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, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

1427-07-2

SMILES

Cc1ccc([N+](=O)[O-])cc1F

InChIKey

WIQISTBTOQNVCE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzene, 2-fluoro-1-methyl-4-nitro-
Toluene, 2-fluoro-4-nitro-
2-Fluoro-4-nitrotoluene
3-Fluoro-4-methylnitrobenzene
NSC 60724
1-Methyl-2-fluoro-4-nitrobenzene

Work with 2-Fluoro-1-methyl-4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-5-nitrotoluene455-88-975 % similar 3,4-Difluoronitrobenzene369-34-668 % similar 4-Nitro-o-xylene99-51-468 % similar 3-Fluoro-4-iodonitrobenzene2996-30-765 % similar 2,4-Dinitrotoluene121-14-264 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-862 % similar 2-Chloro-4-nitrotoluene121-86-860 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % 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 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 2-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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