2,4,6-Tribromotoluene

C7H5Br3CAS 6320-40-7328.83 g/mol

Open in Covalent MOL file
BrBrBr
Aryl halide

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
6320-40-7
SMILES
Cc1c(Br)cc(Br)cc1Br
InChIKey
BFRIZWKDNUHPHL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3

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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 2,6-Dibromotoluene69321-60-452 % similar 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-450 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Tribromotoluene3278-88-4 3,5-Dibromobenzyl bromide56908-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook