Pentabromotoluene

C7H3Br5CAS 87-83-2486.62 g/mol

Open in Covalent MOL file
BrBrBrBrBr
Aryl halide

Properties

Molecular formula
C7H3Br5
Molar mass
486.62 g/mol
Exact mass
481.6152 Da
Density
2.97 g/mL (at 17.2 °C)
Melting point
288 °C
Water solubility
insoluble
logP
5.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
87-83-2
SMILES
Cc1c(Br)c(Br)c(Br)c(Br)c1Br
InChIKey
OZHJEQVYCBTHJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1,2,3,4,5-pentabromo-6-methyl-
  • Toluene, 2,3,4,5,6-pentabromo-
  • Benzene, pentabromomethyl-
  • 1,2,3,4,5-Pentabromo-6-methylbenzene
  • Flammex 5BT
  • 2,3,4,5,6-Pentabromotoluene
  • Pentabromomethylbenzene
  • 2,3,4,5,6-Pentabromomethylbenzene
  • PBT (flame retardant)
  • PBT

Work with Pentabromotoluene

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

2,3,5,6-Tetrabromo-p-xylene23488-38-292 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-077 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-464 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-861 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-260 % similar 3,4,5,6-Tetrabromo-o-cresol576-55-658 % similar 1,5-Dibromo-2,4-bis-bromomethyl-benzene35510-03-353 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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