3,4,5,6-Tetrabromo-o-cresol

C7H4Br4OCAS 576-55-6423.72 g/mol

Open in Covalent MOL file
HOBrBrBrBr
Aryl halidePhenol

Properties

Molecular formula
C7H4Br4O
Molar mass
423.72 g/mol
Exact mass
419.6996 Da
Melting point
208 °C
logP
4.75Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
576-55-6
SMILES
Cc1c(O)c(Br)c(Br)c(Br)c1Br
InChIKey
GGIDUULRWQOXLR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3

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Names and synonyms

8 names
  • Phenol, 2,3,4,5-tetrabromo-6-methyl-
  • o-Cresol, 3,4,5,6-tetrabromo-
  • 2,3,4,5-Tetrabromo-6-methylphenol
  • 3,4,5,6-Tetrabromo-2-methylphenol
  • Remanol
  • Deodorant richter/K
  • 2-Methyl-3,4,5,6-tetrabromophenol
  • NSC 4866

Work with 3,4,5,6-Tetrabromo-o-cresol

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

Pentabromophenol608-71-958 % similar Pentabromotoluene87-83-258 % similar 2,3,5,6-Tetrabromo-p-xylene23488-38-253 % similar 2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-653 % similar 2,4,6-Tribromo-3-methylphenol4619-74-346 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-445 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-045 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5,6-Tetrabromo-4-methylphenol37721-75-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook