chempirical

Pentaerythritol tribromide

C5H9Br3OCAS 1522-92-5324.84 g/mol

Open in Covalent MOL file
HOBrBrBr
AlcoholAlkyl halide

Properties

Molecular formula
C5H9Br3O
Molar mass
324.84 g/mol
Exact mass
321.8204 Da
Melting point
90–95 °C
Boiling point
131 °C (at 2.5 Torr)
logP
2.15Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
1522-92-5
SMILES
OCC(CBr)(CBr)CBr
InChIKey
QEJPOEGPNIVDMK-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2

Weigh it out

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

Names and synonyms

12 names
  • 1-Propanol, 3-bromo-2,2-bis(bromomethyl)-
  • 3-Bromo-2,2-bis(bromomethyl)-1-propanol
  • 2,2,2-Tris(bromomethyl)ethanol
  • Tribromoneopentyl alcohol
  • 2,2-Bis(bromomethyl)-3-bromo-1-propanol
  • 3-Bromo-2,2-bis(bromomethyl)propanol
  • Pentaerythritol tribromohydrin
  • 3-Bromo-2,2-bis(bromomethyl)propyl alcohol
  • FR 1360
  • FR 513
  • NSC 20521
  • Tribromoneopentanol

Work with Pentaerythritol tribromide

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

2,2-Bis(bromomethyl)-1,3-propanediol3296-90-087 % similar Pentaerythritol115-77-553 % similar 1,1-Cyclopropanedimethanol39590-81-347 % similar 2,2-Diethyl-1,3-propanediol115-76-440 % similar Dipentaerythritol126-58-940 % similar 3,3-Bis(bromomethyl)oxetane2402-83-740 % similar Trimethylolpropane77-99-640 % similar Tribromoethanol75-80-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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