1,5-Hexadiyne
Properties
- Molecular formula
- C6H6
- Molar mass
- 78.11 g/mol
- Exact mass
- 78.0470 Da
- Density
- 0.7994 g/mL (at 20 °C)
- Melting point
- −6 °C
- Boiling point
- 86 °C
- logP
- 1.03Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways83.3% of notifiers
- H315 Causes skin irritation16.7% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H336 May cause drowsiness or dizziness66.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects66.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
628-16-0SMILES
C#CCCC#CInChIKey
YFIBSNDOVCWPBL-UHFFFAOYSA-NInChI
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Bipropargyl
- Dipropargyl
- NSC 155174
Work with 1,5-Hexadiyne
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
1,6-Heptadiyne2396-63-667 % similar
1,7-Octadiyne871-84-167 % similar
1,9-Decadiyne1720-38-362 % similar
1,8-Nonadiyne2396-65-862 % similar
4-Bromobut-1-yne38771-21-053 % similar
4-Chloro-1-butyne51908-64-653 % similar
1-Pentyne627-19-053 % similar
3-Butyn-1-ol927-74-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.