Tetrabromobisphenol A

C15H12Br4O2CAS 79-94-7543.88 g/mol

Open in Covalent MOL file
BrOHBrBrHOBr
Aryl halidePhenol

Properties

Molecular formula
C15H12Br4O2
Molar mass
543.88 g/mol
Exact mass
539.7571 Da
Density
220 g/mL (at 4 °C)
Melting point
179–181 °C
pKa
7.5, 8.5, 9.4 (20 °C)
Flash point
178 °C
Water solubility
171 µg/L (25 °C)
logP
6.47Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Danger
Health Hazard (GHS08)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 604-074-00-0), via PubChem.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number
79-94-7
SMILES
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIKey
VEORPZCZECFIRK-UHFFFAOYSA-N
InChI
InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

Weigh it out

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

Names and synonyms

37 names · show all
  • Phenol, 4,4′-(1-methylethylidene)bis[2,6-dibromo-
  • Phenol, 4,4′-isopropylidenebis[2,6-dibromo-
  • 4,4′-(1-Methylethylidene)bis[2,6-dibromophenol]
  • Firemaster BP 4A
  • 2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane
  • 2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane
  • 3,5,3′,5′-Tetrabromobisphenol A
  • Bromdian
  • 2,2′,6,6′-Tetrabromobisphenol A
  • Fire guard 2000
  • Tetrabromodian
  • BA 59
  • 4,4′-Isopropylidenebis[2,6-dibromophenol]
  • 3,3′,5,5′-Tetrabromobisphenol A
  • Tetrabromodiphenylolpropane
  • Saytex RB 100PC
  • BA 59P
  • Flame cut 120G
  • Saytex RB 100
  • GLCBA 59P
  • RB 100
  • PB 100
  • FG 2000
  • TBBPA
  • FR 1524
  • NSC 59775
  • Saytex CP 2000
  • CP 2000
  • Flame cut 120R
  • T 0032
  • BA 59BP
  • FCP 2010
  • FR 1525
  • 2,6-Dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
  • Z 58
  • Taixing HT 108
  • HT 108

Work with Tetrabromobisphenol A

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

Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester71342-77-363 % similar Carbonic dichloride, polymer with 4,4′-(1-methylethylidene)bis[2,6-dibromophenol] and phenol94334-64-256 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-155 % similar 4,4'-Isopropylidenedi-2,6-xylol5613-46-754 % similar 5,5′-(1-Methylethylidene)bis[2-hydroxy-1,3-benzenedimethanol]3957-22-053 % similar 2,6-Dibromo-4-methylphenol2432-14-652 % similar 2,4,6-Tribromophenol118-79-650 % similar Tetrabromobisphenol A bis(2-hydroxyethyl) ether4162-45-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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