4-Fluoro-1,2-dinitrobenzene

C₆H₃FN₂O₄CAS 364-53-4186.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃FN₂O₄
Molar mass: 186.10 g/mol
Exact mass: 186.0077 Da
Melting point: 25.8 °C
logP: 1.64Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin90% of notifiers
H301 Toxic if swallowed10% of notifiers
H315 Causes skin irritation95% of notifiers
H317 May cause an allergic skin reaction95% of notifiers
H318 Causes serious eye damage90% of notifiers
H330 Fatal if inhaled95% of notifiers

Aggregated from 20 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, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

364-53-4

SMILES

O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-]

InChIKey

IRIUWJQQUVBRLV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3FN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H

Weigh it out

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

Names and synonyms

5 names

Benzene, 4-fluoro-1,2-dinitro-
1,2-Dinitro-4-fluorobenzene
3,4-Dinitrofluorobenzene
1-Fluoro-3,4-dinitrobenzene
NSC 170938

Work with 4-Fluoro-1,2-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

2,4-Difluoronitrobenzene446-35-575 % similar 2,5-Difluoronitrobenzene364-74-971 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-570 % similar 5-Fluoro-2-nitrobenzenamine2369-11-170 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-370 % similar 5-Fluoro-2-nitrophenol446-36-670 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-770 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-567 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Fluoro-2,4-dinitrobenzene70-34-8

Elsewhere

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