2,4,6-Tribromo-3-methylphenol

C7H5Br3OCAS 4619-74-3344.83 g/mol

Open in Covalent MOL file
BrBrOHBr
Aryl halidePhenol

Properties

Molecular formula
C7H5Br3O
Molar mass
344.83 g/mol
Exact mass
341.7891 Da
Melting point
84 °C
logP
3.99Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4619-74-3
SMILES
Cc1c(Br)cc(Br)c(O)c1Br
InChIKey
QKHROXOPRBWBDD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3

Weigh it out

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Names and synonyms

7 names
  • Triphysan
  • Triphysol
  • Micatex
  • NSC 74686
  • Phenol, 2,4,6-tribromo-3-methyl-
  • m-Cresol, 2,4,6-tribromo-
  • 2,4,6-Tribromo-m-cresol

Work with 2,4,6-Tribromo-3-methylphenol

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

2,4,6-Tribromoresorcinol2437-49-267 % similar 1,5-Dibromo-2,4-bis-bromomethyl-benzene35510-03-354 % similar 3,5-Dibromo-4-methylphenol13979-81-250 % similar 2,6-Dibromo-4-methylphenol2432-14-650 % similar 2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-648 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-848 % similar 3,4,5,6-Tetrabromo-o-cresol576-55-646 % similar 3-Hydroxy-2,4,6-tribromobenzoic acid14348-40-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Tribromo-4-methylphenol36776-51-9 2,4,6-Tribromoanisole607-99-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook