chempirical

Trimethylphenylammonium tribromide

C9H14Br3NCAS 4207-56-1375.93 g/mol

Open in Covalent MOL file
N+BrBr−Br
Quaternary ammonium

Properties

Molecular formula
C9H14Br3N
Molar mass
375.93 g/mol
Exact mass
372.8676 Da
Melting point
113–115 °C
logP
0.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4207-56-1
SMILES
C[N+](C)(C)C1=CC=CC=C1.Br[Br-]Br
InChIKey
PRXNKYBFWAWBNZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N.Br3/c1-10(2,3)9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;/q+1;-1

Weigh it out

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

Names and synonyms

11 names
  • Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
  • Ammonium, trimethylphenyl-, (tribromide)
  • Benzenaminium, N,N,N-trimethyl-, (tribromide)
  • Bromide (Br31-), N,N,N-trimethylbenzenaminium
  • Jacques reagent
  • Phenyltrimethylammonium tribromide
  • Phenyltrimethylammonium perbromide
  • Trimethylphenylammonium perbromide
  • NSC 138640
  • NSC 173340
  • NSC 87897

Work with Trimethylphenylammonium tribromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trimethylphenylammonium iodide98-04-4Salt Trimethylphenylammonium hydroxide1899-02-1Salt Phenyltrimethylammonium chloride138-24-9Salt Phenyltrimethylammonium bromide16056-11-4Salt

Similar compounds

Benzyltrimethylammonium tribromide111865-47-550 % similar 3-(Trifluoromethyl)phenyltrimethylammonium iodide27389-57-732 % similar 3-(Trifluoromethyl)phenyltrimethylammonium hydroxide68254-41-132 % similar (T-4)-(N,N-Diethylbenzenamine)trihydroboron13289-97-931 % similar (1-Bromoethyl)benzene585-71-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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