Lactonitrile

C₃H₅NOCAS 78-97-771.08 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₃H₅NO
Molar mass: 71.08 g/mol
Exact mass: 71.0371 Da
Density: 0.9877 g/mL (at 20 °C)
Melting point: −40 °C
Boiling point: 221 °C
Flash point: 77.2 °C (closed cup)
Water solubility: miscible
logP: -0.11Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed52.9% of notifiers
H301 Toxic if swallowed20.1% of notifiers
H310 Fatal in contact with skin71.6% of notifiers
H330 Fatal if inhaled52.9% of notifiers
H332 Harmful if inhaled18.6% of notifiers
H400 Very toxic to aquatic life52.9% of notifiers
H412 Harmful to aquatic life with long lasting effects52.9% of notifiers

Aggregated from 204 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P317, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

78-97-7

SMILES

CC(O)C#N

InChIKey

WOFDVDFSGLBFAC-UHFFFAOYSA-N

InChI

InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3

Weigh it out

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

Names and synonyms

9 names

Propanenitrile, 2-hydroxy-
2-Hydroxypropanenitrile
α-Hydroxypropionitrile
2-Hydroxypropionitrile
Acetocyanohydrin
Acetaldehyde, cyanohydrin
(±)-2-Hydroxypropionitrile
(±)-2-Hydroxypropanenitrile
NSC 7764

Work with Lactonitrile

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

3-Hexyne-2,5-diol3031-66-150 % similar 3-Butyn-2-ol2028-63-943 % similar (S)-(-)-1-Butyn-3-ol2914-69-443 % similar (+)-1-Butyn-3-ol42969-65-343 % similar 3-Butyn-2-ol65337-13-543 % similar Isobutyronitrile78-82-042 % similar 2-Chloropropionitrile1617-17-036 % similar 3-Hexyn-2-ol109-50-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxypropionitrile109-78-4 Ethyl isocyanate109-90-0 Methoxyacetonitrile1738-36-9 Acrylamide79-06-1 Polyacrylamide9003-05-8 2-Azetidinone930-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia