4-Amino-3,5-dibromobenzotrifluoride

C7H4Br2F3NCAS 72678-19-4318.92 g/mol

Open in Covalent MOL file
BrH2NBrFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H4Br2F3N
Molar mass
318.92 g/mol
Exact mass
316.8663 Da
logP
3.81Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
72678-19-4
SMILES
C1=C(C=C(C(=C1Br)N)Br)C(F)(F)F
InChIKey
DRSMEHXBOXHXDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

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Names and synonyms

1 names
  • 2,6-Dibromo-4-(trifluoromethyl)aniline

Work with 4-Amino-3,5-dibromobenzotrifluoride

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-diaminobenzotrifluoride113170-72-278 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-872 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-160 % similar 2-Bromo-4-trifluoromethylaniline57946-63-157 % similar 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine79456-30-753 % similar 2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine875664-27-053 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,5-dibromobenzotrifluoride71757-14-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook