chempirical

Propargyl bromide

C3H3BrCAS 106-96-7118.96 g/mol

Open in Covalent MOL file
Br
Alkyl halideAlkyne

Properties

Molecular formula
C3H3Br
Molar mass
118.96 g/mol
Exact mass
117.9418 Da
Density
1.579 g/mL (at 19 °C)
Melting point
107–108 °C
Boiling point
88–90 °C
logP
1.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
106-96-7
SMILES
C#CCBr
InChIKey
YORCIIVHUBAYBQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propyne, 3-bromo-
  • Propyne, 3-bromo-
  • 3-Bromo-1-propyne
  • 3-Bromopropyne
  • 2-Propynyl bromide
  • 1-Bromo-2-propyne
  • NSC 8801
  • 1-(Bromomethyl)acetylene
  • 3-Propargyl bromide

Work with Propargyl bromide

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

1,5-Hexadiyne628-16-040 % similar 1,6-Heptadiyne2396-63-635 % similar 1,7-Octadiyne871-84-135 % similar 1-Butyne107-00-633 % similar Propargyl alcohol107-19-733 % similar 1,9-Decadiyne1720-38-333 % similar 1,8-Nonadiyne2396-65-833 % similar Propargylamine2450-71-733 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia