1,5-Difluoro-2,4-dinitrobenzene

C₆H₂F₂N₂O₄CAS 327-92-4204.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂F₂N₂O₄
Molar mass: 204.09 g/mol
Exact mass: 203.9983 Da
Melting point: 74 °C
logP: 1.78Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed95.7% of notifiers
H311 Toxic in contact with skin89.1% of notifiers
H315 Causes skin irritation10.9% of notifiers
H317 May cause an allergic skin reaction10.9% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H331 Toxic if inhaled87% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

327-92-4

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(F)cc1F

InChIKey

VILFTWLXLYIEMV-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

Weigh it out

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

Names and synonyms

9 names

Benzene, 1,5-difluoro-2,4-dinitro-
4,6-Difluoro-1,3-dinitrobenzene
1,3-Difluoro-4,6-dinitrobenzene
2,4-Dinitro-1,5-difluorobenzene
2,6-Dinitro-3,5-difluorobenzene
NSC 10246
2,4-Difluoro-1,5-dinitrobenzene
1,5-Difluoro-2,4-nitrobenzene
DFDNB

Work with 1,5-Difluoro-2,4-dinitrobenzene

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

1,2,4-Trifluoro-5-nitrobenzene2105-61-587 % similar 2,4-Difluoro-5-nitrophenol113512-57-571 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-171 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-471 % similar 1-Fluoro-5-methyl-2,4-dinitrobenzene349-01-971 % similar 2,4-Dinitro-5-fluoroaniline367-81-771 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-868 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook