2,3-Dibromo-1-propanol
Properties
- Molecular formula
- C3H6Br2O
- Molar mass
- 217.89 g/mol
- Exact mass
- 215.8785 Da
- Density
- 2.12 g/mL (at 20 °C)
- Boiling point
- 219 °C
- Flash point
- 112.8 °C
- Water solubility
- 50–100 g/L (20 °C)
- logP
- 1.14Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
- H350 May cause cancerCarcinogenicity
- H361f *** Suspected of damaging fertilityReproductive toxicity
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-088-00-1), via PubChem.
Precautionary statements
P203, P261, P262, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P361+P364, P405, P501
Identifiers
CAS number
96-13-9SMILES
OCC(Br)CBrInChIKey
QWVCIORZLNBIIC-UHFFFAOYSA-NInChI
InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 1-Propanol, 2,3-dibromo-
- 2,3-Dibromopropyl alcohol
- 1,2-Dibromopropan-3-ol
- Brominex 257
- DBP (flame retardant)
- DBP
- NSC 6203
Work with 2,3-Dibromo-1-propanol
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
1,2,3-Tribromopropane96-11-759 % similar
1,2-Dibromobutane533-98-245 % similar
1,2-Dibromo-3-chloropropane96-12-845 % similar
3-Bromo-2-methylpropan-1-ol40145-08-243 % similar
Rel-(2R,3R)-2,3-Dibromo-1,4-butanediol1947-58-640 % similar
1,2-Dibromopropane78-75-136 % similar
Tris(2,3-dibromopropyl) phosphate126-72-736 % similar
Tris(2,3-dibromopropyl) isocyanurate52434-90-936 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.