2-Fluoro-4-methyl-1-nitrobenzene

C₇H₆FNO₂CAS 446-34-4155.13 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
Density: 1.438 g/mL (at 25 °C)
Melting point: 53.2 °C
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed98% of notifiers
H312 Harmful in contact with skin96% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled98% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 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

446-34-4

SMILES

Cc1ccc([N+](=O)[O-])c(F)c1

InChIKey

WZMOWQCNPFDWPA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzene, 2-fluoro-4-methyl-1-nitro-
Toluene, 3-fluoro-4-nitro-
3-Fluoro-4-nitrotoluene
5-Methyl-2-nitrofluorobenzene
2-Fluoro-4-methylnitrobenzene
NSC 25756
m-Fluoro-p-nitrotoluene
4-Methyl-2-fluoro-1-nitrobenzene

Work with 2-Fluoro-4-methyl-1-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

4-Fluoro-3-nitrotoluene446-11-775 % similar 3,4-Dinitrotoluene610-39-968 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 4-Nitro-m-xylene89-87-264 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 3-Fluoro-4-nitrophenol394-41-260 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook