2,2-Bis(bromomethyl)-1,3-propanediol

C₅H₁₀Br₂O₂CAS 3296-90-0261.94 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₁₀Br₂O₂
Molar mass: 261.94 g/mol
Exact mass: 259.9048 Da
Density: 2.2 g/mL
Melting point: 111–113 °C
Water solubility: 38 g/L (25 °C)
logP: 0.75Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H340 May cause genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 603-240-00-X), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

3296-90-0

SMILES

OCC(CO)(CBr)CBr

InChIKey

CHUGKEQJSLOLHL-UHFFFAOYSA-N

InChI

InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2

Weigh it out

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

Names and synonyms

11 names

1,3-Propanediol, 2,2-bis(bromomethyl)-
Pentaerythritol dibromide
Dibromoneopentyl glycol
2,2-Dibromomethyl-1,3-propanediol
1,3-Dibromo-2,2-dimethylolpropane
Pentaerythritol dibromohydrin
FR 1138
1,3-Dibromo-2,2-dihydroxymethylpropane
FR 522
NSC 9001
1,3-Dibromo-2,2-bis(hydroxymethyl)propane

Work with 2,2-Bis(bromomethyl)-1,3-propanediol

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

Pentaerythritol tribromide1522-92-587 % similar Tribromoneopentyl alcohol36483-57-587 % similar [3-(Bromomethyl)oxetan-3-yl]methanol22633-44-965 % similar Pentaerythritol115-77-553 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-353 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-648 % similar 1,1-Bis(bromomethyl)cyclopropane29086-41-747 % similar 1,1-Cyclopropanedimethanol39590-81-347 % similar

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

Same formula

1,3-Dibromo-2,2-dimethoxypropane22094-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook