1,3-Dibromopropane

C3H6Br2CAS 109-64-8201.89 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C3H6Br2
Molar mass
201.89 g/mol
Exact mass
199.8836 Da
Density
1.9893 g/mL (at 15 °C)
Melting point
−34.2 °C
Boiling point
167.3 °C
Flash point
-34.4 °C
Water solubility
1.68 g/L (30 °C)
logP
2.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 219 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P501

Identifiers

CAS number
109-64-8
SMILES
BrCCCBr
InChIKey
VEFLKXRACNJHOV-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2

Weigh it out

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

Names and synonyms

7 names
  • Propane, 1,3-dibromo-
  • α,γ-Dibromopropane
  • ω,ω′-Dibromopropane
  • Trimethylene bromide
  • Trimethylene dibromide
  • NSC 62663
  • 1,3-Bis(bromo)propane

Work with 1,3-Dibromopropane

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

1,4-Dibromobutane110-52-178 % similar 1,5-Dibromopentane111-24-070 % similar 1,11-Dibromoundecane16696-65-470 % similar 1,12-Dibromododecane3344-70-570 % similar 1,10-Dibromodecane4101-68-270 % similar 1,16-Dibromohexadecane45223-18-570 % similar 1,7-Dibromoheptane4549-31-970 % similar 1,8-Dibromooctane4549-32-070 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dibromopropane78-75-1

Elsewhere

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