1,2,4,5-Tetrafluoro-3-nitrobenzene

C₆HF₄NO₂CAS 6257-03-0195.07 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆HF₄NO₂
Molar mass: 195.07 g/mol
Exact mass: 194.9943 Da
logP: 2.15Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

6257-03-0

SMILES

C1=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F

InChIKey

YLNJZWIHZRLYRI-UHFFFAOYSA-N

InChI

InChI=1S/C6HF4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

Weigh it out

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

Names and synonyms

1 names

2,3,5,6-Tetrafluoronitrobenzene

Work with 1,2,4,5-Tetrafluoro-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

3,4,5-Trifluoronitrobenzene66684-58-064 % similar Pentafluoronitrobenzene880-78-464 % similar 1,3,5-Trifluoro-2-nitrobenzene315-14-059 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-457 % similar 1,3-Difluoro-2-nitrobenzene19064-24-555 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-555 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-255 % similar 2,3,4-Trifluoro-6-nitroaniline148416-38-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-0 1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-0

Elsewhere

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