1,2-Difluoro-3-nitrobenzene

C₆H₃F₂NO₂CAS 6921-22-8159.09 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
logP: 1.87Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6921-22-8

SMILES

O=[N+]([O-])c1cccc(F)c1F

InChIKey

IXIJRPBFPLESEI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,2-difluoro-3-nitro-
2,3-Difluoronitrobenzene
2,3-Difluoro-1-nitrobenzene

Work with 1,2-Difluoro-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

1,2,3-Trifluoro-4-nitrobenzene771-69-772 % similar 1-Fluoro-2-nitrobenzene1493-27-271 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-270 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-968 % similar 3-Bromo-2-fluoronitrobenzene58534-94-468 % similar 2-Fluoro-6-nitrophenol1526-17-666 % similar 2-Fluoro-6-nitrobenzenamine17809-36-866 % similar 2-Fluoro-3-nitrophenol179816-26-366 % 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 3,4-Difluoronitrobenzene369-34-6 2,4-Difluoronitrobenzene446-35-5 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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