3,4-Difluoronitrobenzene

C₆H₃F₂NO₂CAS 369-34-6159.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃F₂NO₂
Molar mass: 159.09 g/mol
Exact mass: 159.0132 Da
Boiling point: 80–81 °C (at 14 Torr)
logP: 1.87Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.9% of notifiers
H312 Harmful in contact with skin12.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.8% of notifiers
H335 May cause respiratory irritation97.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.6% of notifiers

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

Precautionary statements

P260, 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

369-34-6

SMILES

O=[N+]([O-])c1ccc(F)c(F)c1

InChIKey

RUBQQRMAWLSCCJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2-difluoro-4-nitro-
1,2-Difluoro-4-nitrobenzene
4-Nitro-1,2-difluorobenzene
3,4-Difluoro-1-nitrobenzene

Work with 3,4-Difluoronitrobenzene

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-Fluoro-2,4-dinitrobenzene70-34-872 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-869 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-268 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-568 % similar 3-Fluoro-4-iodonitrobenzene2996-30-768 % similar 3-Chloro-4-fluoronitrobenzene350-30-168 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-268 % similar 2-Fluoro-4-nitrobenzenamine369-35-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Difluoro-2-nitrobenzene19064-24-5 1,3-Difluoro-5-nitrobenzene2265-94-3 2,5-Difluoronitrobenzene364-74-9 2,4-Difluoronitrobenzene446-35-5 1,2-Difluoro-3-nitrobenzene6921-22-8 3,5-Difluoropyridine-2-carboxylic acid745784-04-7 2,3-Difluoropyridine-4-carboxylic acid851386-31-7 3,5-Difluoropyridine-4-carboxylic acid903522-29-2

Elsewhere

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