2,4,6-Tribromotoluene
Properties
- Molecular formula
- C7H5Br3
- Molar mass
- 328.83 g/mol
- Exact mass
- 325.7941 Da
- Melting point
- 70 °C
- Boiling point
- 290 °C
- logP
- 4.28Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
6320-40-7SMILES
Cc1c(Br)cc(Br)cc1BrInChIKey
BFRIZWKDNUHPHL-UHFFFAOYSA-NInChI
InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,3,5-Tribromo-2-methylbenzene
- Benzene, 1,3,5-tribromo-2-methyl-
- Toluene, 2,4,6-tribromo-
- NSC 31887
Work with 2,4,6-Tribromotoluene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,5-Dibromo-4-methylaniline13194-73-557 % similar
3,5-Dibromo-4-methylphenol13979-81-257 % similar
2,4-Dibromo-1-methylbenzene31543-75-648 % similar
2,4,6-Tribromoanisole607-99-848 % similar
2,4,6-Tribromophenol118-79-648 % similar
2,4,6-Tribromoaniline147-82-048 % similar
3,5-Dibromo-4-methylpyridine3430-23-748 % similar
3,5-Dibromotoluene1611-92-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds