1,3-Dibromo-2-propanol

C₃H₆Br₂OCAS 96-21-9217.89 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₆Br₂O
Molar mass: 217.89 g/mol
Exact mass: 215.8785 Da
Melting point: 103–106 °C
Boiling point: 103–106 °C (at 15 Torr)
logP: 1.14Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed90.9% of notifiers
H315 Causes skin irritation93.2% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H335 May cause respiratory irritation90.9% of notifiers
H351 Suspected of causing cancer93.2% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

96-21-9

SMILES

OC(CBr)CBr

InChIKey

KIHQZLPHVZKELA-UHFFFAOYSA-N

InChI

InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2

Weigh it out

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

Names and synonyms

10 names

2-Propanol, 1,3-dibromo-
α,γ-Dibromohydrin
1,3-Dibromo-2-hydroxypropane
α-Dibromohydrin
Glycerol 1,3-dibromohydrin
Glycerol α,γ-dibromohydrin
1,3-Dibromohydrin
2-Hydroxy-1,3-dibromopropane
1,3-Dibromopropanol
NSC 636

Reactions

Glycerol α,γ-dibromohydrin (2-Propanol, 1,3-dibromo-)product

Work with 1,3-Dibromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dibromo-2-butanol19398-47-161 % similar 1-Bromo-2-propanol19686-73-842 % similar Cyclopropanol16545-68-940 % similar 1,3,5-Cyclohexanetriol2041-15-840 % similar 1,4-Cyclohexanediol556-48-940 % similar trans-1,4-Cyclohexanediol6995-79-540 % similar Ethyl (3S)-4-bromo-3-hydroxybutanoate95537-36-338 % similar 1,2,3,4-Tetrabromobutane1529-68-635 % similar

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

Same formula

2,3-Dibromo-1-propanol96-13-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook