4-Fluoro-3-nitrotoluene

C₇H₆FNO₂CAS 446-11-7155.13 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

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin90.7% of notifiers
H314 Causes severe skin burns and eye damage90.7% of notifiers
H330 Fatal if inhaled90.7% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure90.7% of notifiers
H412 Harmful to aquatic life with long lasting effects90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

446-11-7

SMILES

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

InChIKey

OORBDHOQLZRIQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Fluoro-3-nitrotoluene

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-4-methyl-1-nitrobenzene446-34-475 % similar 3,4-Dinitrotoluene610-39-968 % similar 2,5-Difluoronitrobenzene364-74-966 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Methyl-2-nitrophenol119-33-560 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % 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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