Propargyl bromide
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
- Flash point
- 10 °C (closed cup)
- logP
- 1.01Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor92.5% of notifiers
- H301 Toxic if swallowed94.3% of notifiers
- H314 Causes severe skin burns and eye damage20.8% of notifiers
- H315 Causes skin irritation79.2% of notifiers
- H319 Causes serious eye irritation79.2% of notifiers
- H335 May cause respiratory irritation88.7% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
106-96-7SMILES
C#CCBrInChIKey
YORCIIVHUBAYBQ-UHFFFAOYSA-NInChI
InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2Weigh 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
4-Bromobut-1-yne38771-21-044 % similar
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
Tanimoto similarity of circular fingerprints over the whole catalogue.