2-Fluoro-1-methyl-3-nitrobenzene

C₇H₆FNO₂CAS 437-86-5155.13 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
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 12 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

437-86-5

SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])F

InChIKey

NBCNUIXYBLFJMI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-3-nitrotoluene

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

Similar compounds

1,2-Difluoro-3-nitrobenzene6921-22-866 % similar 3-Nitro-o-xylene83-41-066 % similar 2-Nitrotoluene88-72-265 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-264 % similar 2,3-Dinitrotoluene602-01-764 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-962 % similar 3-Bromo-2-fluoronitrobenzene58534-94-462 % similar 2,6-Dimethylnitrobenzene81-20-961 % 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-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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