Cyanoacetylene

C₃HNCAS 1070-71-951.05 g/mol

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Alkyne Nitrile

Properties

Molecular formula: C₃HN
Molar mass: 51.05 g/mol
Exact mass: 51.0109 Da
Density: 0.8159 g/mL (at 17 °C)
Melting point: 5 °C
Boiling point: 42.5 °C
logP: 0.14Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H330 Fatal if inhaled100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1070-71-9

SMILES

C#CC#N

InChIKey

LNDJVIYUJOJFSO-UHFFFAOYSA-N

InChI

InChI=1S/C3HN/c1-2-3-4/h1H

Weigh it out

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

Names and synonyms

5 names

2-Propynenitrile
Propiolonitrile
Propynenitrile
Cyanoethyne
Monocyanoacetylene

Work with Cyanoacetylene

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

Diacetylene460-12-842 % similar Cyanogen460-19-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia