1,3,5-Trifluoro-2-nitrobenzene

C₆H₂F₃NO₂CAS 315-14-0177.08 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂F₃NO₂
Molar mass: 177.08 g/mol
Exact mass: 177.0038 Da
Melting point: 3.5 °C
Boiling point: 183.5 °C
logP: 2.01Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.9% of notifiers
H312 Harmful in contact with skin95.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled95.9% of notifiers
H335 May cause respiratory irritation87.8% of notifiers

Aggregated from 49 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

315-14-0

SMILES

O=[N+]([O-])c1c(F)cc(F)cc1F

InChIKey

PWRFDGYYJWQIAB-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3,5-trifluoro-2-nitro-
2,4,6-Trifluoronitrobenzene
2,4,6-Trifluoro-1-nitrobenzene
NSC 10247

Work with 1,3,5-Trifluoro-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-266 % similar 1,3-Difluoro-2-nitrobenzene19064-24-561 % similar 1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-060 % similar 3,5-Difluoro-4-nitrobenzonitrile1123172-88-259 % similar 2,4-Difluoro-6-nitrobenzenamine364-30-759 % similar 2,4-Difluoro-6-nitrophenol364-31-859 % similar 1,2,4,5-Tetrafluoro-3-nitrobenzene6257-03-059 % similar 2,4-Difluoronitrobenzene446-35-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,4-Trifluoro-5-nitrobenzene2105-61-5 3,4,5-Trifluoronitrobenzene66684-58-0 1,2,3-Trifluoro-4-nitrobenzene771-69-7

Elsewhere

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