Cyclopropylacetylene

C₅H₆CAS 6746-94-766.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆
Molar mass: 66.10 g/mol
Exact mass: 66.0470 Da
Density: 0.7792 g/mL (at 20 °C)
Melting point: 294 °C (decomposes)
Boiling point: 51.5–52.5 °C
logP: 1.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

6746-94-7

SMILES

C#CC1CC1

InChIKey

NPTDXPDGUHAFKC-UHFFFAOYSA-N

InChI

InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2

Weigh it out

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

Names and synonyms

5 names

Cyclopropane, ethynyl-
Ethynylcyclopropane
Acetylene, cyclopropyl-
Ethyne, cyclopropyl-
Cyclopropylethyne

Reactions

CYCLOPROPYLACETYLENE (Cyclopropane, ethynyl-)product

Work with Cyclopropylacetylene

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-Ethynyltetrahydro-2H-py...1202245-65-561 % similar 1-Hexyn-3-ol105-31-733 % similar 1-Boc-4-ethynylpiperidine287192-97-633 % similar Cyclopropyl cyanide5500-21-033 % similar Penta-1,4-diyn-3-ol56598-53-933 % similar 3-Methylbut-1-yne598-23-233 % similar 1-Heptyn-3-ol7383-19-931 % similar 3,3-Diethoxy-1-propyne10160-87-930 % similar

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

Same formula

Tricyclo(1.1.1.01,3)pentane35634-10-7 Bicyclo(2.1.0)pent-2-ene5164-35-2 Cyclopentadiene542-92-7 2-Methyl-1-buten-3-yne78-80-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia