4-Fluoro-2-methyl-1-nitrobenzene

C₇H₆FNO₂CAS 446-33-3155.13 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: 28 °C
Boiling point: 50–60 °C (at 11 Torr)
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed94% of notifiers
H312 Harmful in contact with skin94% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled94% of notifiers
H335 May cause respiratory irritation94% 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

446-33-3

SMILES

Cc1cc(F)ccc1[N+](=O)[O-]

InChIKey

JHFOWEGCZWLHNW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

Benzene, 4-fluoro-2-methyl-1-nitro-
Toluene, 5-fluoro-2-nitro-
5-Fluoro-2-nitrotoluene
2-Methyl-4-fluoronitrobenzene
3-Fluoro-6-nitrotoluene
3-Methyl-4-nitrofluorobenzene
4-Fluoro-2-methylnitrobenzene
NSC 10334
1-Fluoro-3-methyl-4-nitrobenzene

Work with 4-Fluoro-2-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-1-methyl-2-nitrobenzene446-10-683 % similar 4-Fluoro-1,2-dinitrobenzene364-53-470 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 4-Nitro-m-xylene89-87-264 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-262 % similar 2,5-Difluoronitrobenzene364-74-961 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-560 % similar 5-Fluoro-2-nitrobenzenamine2369-11-160 % 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

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