2,6-Dibromo-4-trifluoromethoxyaniline

C7H4Br2F3NOCAS 88149-49-9334.92 g/mol

Open in Covalent MOL file
H2NBrOFFFBr
Alkyl halideAryl halideEtherPrimary amine

Properties

Molecular formula
C7H4Br2F3NO
Molar mass
334.92 g/mol
Exact mass
332.8612 Da
logP
3.69Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
88149-49-9
SMILES
Nc1c(Br)cc(OC(F)(F)F)cc1Br
InChIKey
JBSWOEGXMADXOU-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

Weigh it out

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

Names and synonyms

2 names
  • Benzenamine, 2,6-dibromo-4-(trifluoromethoxy)-
  • 2,6-Dibromo-4-(trifluoromethoxy)benzenamine

Work with 2,6-Dibromo-4-trifluoromethoxyaniline

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

2-Bromo-4-(trifluoromethoxy)aniline175278-17-861 % similar 2,6-Dichloro-4-(trifluoromethoxy)benzenamine99479-66-056 % similar 2-Bromo-5-(trifluoromethoxy)aniline887267-47-256 % similar 1,3-Dibromo-5-(trifluoromethoxy)benzene207226-31-153 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-853 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-452 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-449 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook