chempirical

1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene

C12H15Br3CAS 21988-87-4398.96 g/mol

Open in Covalent MOL file
BrBrBr
Alkyl halide

Properties

Molecular formula
C12H15Br3
Molar mass
398.96 g/mol
Exact mass
395.8724 Da
Melting point
184–185 °C
logP
5.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
21988-87-4
SMILES
Cc1c(CBr)c(C)c(CBr)c(C)c1CBr
InChIKey
BHIFXIATEXVOQA-UHFFFAOYSA-N
InChI
InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1,3,5-tris(bromomethyl)-2,4,6-trimethyl-
  • 2,4,6-Tri(bromomethyl)mesitylene
  • Tris(bromomethyl)mesitylene
  • 1,3,5-Tri(bromomethyl)-2,4,6-trimethylbenzene
  • 2,4,6-Tris(bromomethyl)mesitylene
  • 1,3,5-Tris(bromomethyl)mesitylene
  • 2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene
  • 1,3,5-Tris(4-bromomethyl)-2,4,6-trimethylbenzene
  • 1,3,5-Tris(bromoomethyl)-2,4,6-trimethylbenzene

Work with 1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene

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

Hexakis(bromomethyl)benzene3095-73-653 % similar 4-Methylbenzyl bromide104-81-433 % similar 2,6-Dichlorobenzyl bromide20443-98-533 % similar 2,6-Difluorobenzyl bromide85118-00-932 % similar Pentamethylbenzyl chloride484-65-132 % similar 2,3,4,5,6-Pentamethylbenzenemethanol484-66-232 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-432 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook