2,4,6-Trifluorobenzenamine

C₆H₄F₃NCAS 363-81-5147.10 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄F₃N
Molar mass: 147.10 g/mol
Exact mass: 147.0296 Da
Melting point: 35 °C
Boiling point: 57 °C
logP: 1.69Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid98% of notifiers
H302 Harmful if swallowed93.9% of notifiers
H312 Harmful in contact with skin93.9% of notifiers
H315 Causes skin irritation98% of notifiers
H318 Causes serious eye damage85.7% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled12.2% of notifiers
H335 May cause respiratory irritation87.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

363-81-5

SMILES

Nc1c(F)cc(F)cc1F

InChIKey

BJSVKBGQDHUBHZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 2,4,6-trifluoro-
Aniline, 2,4,6-trifluoro-
2,4,6-Trifluoroaniline
2-Amino-1,3,5-trifluorobenzene
1,3,5-Trifluoroaniline

Work with 2,4,6-Trifluorobenzenamine

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

1,2-Diamino-3,5-difluorobenzene2369-29-173 % similar 2-Chloro-4,6-difluoroaniline36556-56-667 % similar 2-Bromo-4,6-difluorobenzenamine444-14-467 % similar 2-Bromo-4,6-difluoroaniline hydrobromide101471-20-959 % similar 2,6-Difluoro-4-iodoaniline141743-49-957 % similar 4-Bromo-2,6-difluoroaniline67567-26-457 % similar 4-Chloro-2,6-difluorobenzenamine69411-06-957 % similar 2,4-Difluoro-6-nitrobenzenamine364-30-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Trifluorobenzenamine163733-96-8 2,3,5-Trifluoroaniline363-80-4 2,4,5-Trifluoroaniline367-34-0 2-(Trifluoromethyl)pyridine368-48-9 3-(Trifluoromethyl)pyridine3796-23-4 4-(Trifluoromethyl)pyridine3796-24-5 2,3,4-Trifluoroaniline3862-73-5 2,3,6-Trifluoroaniline67815-56-9

Elsewhere

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