chempirical

Glycolonitrile

C2H3NOCAS 107-16-457.05 g/mol

Open in Covalent MOL file
NOH
AlcoholNitrile

Properties

Molecular formula
C2H3NO
Molar mass
57.05 g/mol
Exact mass
57.0215 Da
Density
1.1 g/mL
Melting point
below −72 °C
Boiling point
183 °C
Flash point
93.3 °C
Water solubility
≥ 100 g/L (20 °C)
logP
-0.50Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
107-16-4
SMILES
N#CCO
InChIKey
LTYRAPJYLUPLCI-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2

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Names and synonyms

13 names · show all
  • Acetonitrile, 2-hydroxy-
  • Acetonitrile, hydroxy-
  • 2-Hydroxyacetonitrile
  • Glycolic nitrile
  • Glyconitrile
  • Formaldehyde, cyanohydrin
  • Hydroxyacetonitrile
  • Cyanomethanol
  • Hydroxymethylnitrile
  • Hydroxymethyl cyanide
  • Cyanomethyl alcohol
  • NSC 1790
  • Formalcyanohydrin

Reactions

Work with Glycolonitrile

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-Hydroxypropionitrile109-78-444 % similar Malononitrile109-77-340 % similar Succinonitrile110-61-240 % similar 1,4-Butynediol110-65-640 % similar Adiponitrile111-69-335 % similar 2,4-Hexadiyne-1,6-diol3031-68-335 % similar Glutaronitrile544-13-835 % similar 3-Hydroxypentanedinitrile13880-89-235 % similar

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

Same formula

Methyl isocyanate624-83-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia