2-Bromo-3,4,6-trifluoroaniline

C6H3BrF3NCAS 1481-21-6226.00 g/mol

Open in Covalent MOL file
FFBrNH2F
Aryl halidePrimary amine

Properties

Molecular formula
C6H3BrF3N
Molar mass
226.00 g/mol
Exact mass
224.9401 Da
logP
2.45Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1481-21-6
SMILES
C1=C(C(=C(C(=C1F)F)Br)N)F
InChIKey
MRXOTDULAFLMDA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF3N/c7-4-5(10)2(8)1-3(9)6(4)11/h1H,11H2

Weigh it out

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

Names and synonyms

1 names
  • 2,4,5-Trifluoro-6-bromoaniline

Work with 2-Bromo-3,4,6-trifluoroaniline

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-1,2,4,5-tetrafluorobenzene1559-88-267 % similar 2,3,4,6-Tetrafluorobenzenamine363-73-562 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-460 % similar 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-950 % similar 4-Bromo-2,6-difluoroaniline67567-26-450 % similar 2-Bromo-3,4-difluoroaniline1092349-87-548 % similar 2-Bromo-1,3,4-trifluorobenzene176793-04-746 % similar 4-Bromo-3,5-difluoroaniline203302-95-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2,3,4-trifluorobenzenamine122375-82-0 2-Bromo-4-(trifluoromethyl)pyridine175205-81-9 2-Bromo-3-(trifluoromethyl)pyridine175205-82-0 2-Bromo-6-(trifluoromethyl)pyridine189278-27-1 5-Bromo-2-(trifluoromethyl)pyridine436799-32-5 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6 2-Bromo-5-(trifluoromethyl)pyridine50488-42-1 3-Bromo-4-(trifluoromethyl)pyridine936841-70-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook