chempirical

1,3-Dibromo-2,2-bis(bromomethyl)propane

C5H8Br4CAS 3229-00-3387.74 g/mol

Open in Covalent MOL file
BrBrBrBr
Alkyl halide

Properties

Molecular formula
C5H8Br4
Molar mass
387.74 g/mol
Exact mass
383.7360 Da
Melting point
163 °C
Boiling point
305.5 °C
logP
3.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
3229-00-3
SMILES
BrCC(CBr)(CBr)CBr
InChIKey
OYSVBCSOQFXYHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2

Weigh it out

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

Names and synonyms

11 names
  • Propane, 1,3-dibromo-2,2-bis(bromomethyl)-
  • Pentaerythritol tetrabromide
  • Pentaerythrityl bromide
  • Pentaerythrityl tetrabromide
  • Tetra(bromomethyl)methane
  • 2,2-Bis(bromomethyl)-1,3-dibromopropane
  • Tetrabromoneopentane
  • Tetrakis(bromomethyl)methane
  • Tetrabromopentaerythritol
  • NSC 8998
  • Pentaerithrityl tetrabromide

Reactions

Work with 1,3-Dibromo-2,2-bis(bromomethyl)propane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Bis(bromomethyl)cyclopropane29086-41-767 % similar Pentaerythritol tribromide1522-92-553 % similar 3,3-Bis(bromomethyl)oxetane2402-83-753 % similar 2,2-Bis(bromomethyl)-1,3-propanediol3296-90-053 % similar Tribromoneopentyl alcohol36483-57-553 % similar [3-(Bromomethyl)oxetan-3-yl]methanol22633-44-940 % similar 2-Bromo-1,1,1-trifluoroethane421-06-740 % similar 1-Bromo-2,2-dimethylpropane630-17-140 % similar

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

Elsewhere

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