3,4,5-Trifluorobenzenamine

C₆H₄F₃NCAS 163733-96-8147.10 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: 62.4 °C
logP: 1.69Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed18.4% of notifiers
H312 Harmful in contact with skin18.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.3% of notifiers
H335 May cause respiratory irritation89.8% 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

163733-96-8

SMILES

Nc1cc(F)c(F)c(F)c1

InChIKey

SZRDJHHKIJHJHQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 3,4,5-trifluoro-
3,4,5-Trifluoroaniline
3,4,5-Trifluorophenylamine

Work with 3,4,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-4,5-difluorobenzenamine875664-41-867 % similar 4-Amino-2,6-difluorophenol126058-97-757 % similar 3,5-Difluoro-4-iodoaniline1542-34-357 % similar 4-Bromo-3,5-difluoroaniline203302-95-857 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-455 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 3,4-Difluoroaniline3863-11-452 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5-Trifluoroaniline363-80-4 2,4,6-Trifluorobenzenamine363-81-5 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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