50640
Glycolic acid nitrile solution
~70% in H2O
Synonym(s):
Formaldehyde cyanohydrin, Hydroxyacetonitrile
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About This Item
Linear Formula:
HOCH2CN
CAS Number:
Molecular Weight:
57.05
Beilstein/REAXYS Number:
605328
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
contains
~0.5% phosphoric acid as stabilizer
Quality Level
concentration
~70% in H2O
refractive index
n20/D 1.389
density
1.076 g/mL at 20 °C
functional group
hydroxyl
nitrile
SMILES string
OCC#N
InChI
1S/C2H3NO/c3-1-2-4/h4H,2H2
InChI key
LTYRAPJYLUPLCI-UHFFFAOYSA-N
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General description
The product is a 70% solution of glycolic acid nitrile in water. Glycolic acid nitrile, also known as hydroxyacetonitrile is the simplest cyanohydrin. The microwave spectra of hydroxyacetonitrile have been recorded in gas-phase and its rotational constants have been calculated. Ice containing formaldehyde and hydrogen cyanide react under astrophysical-like conditions to form hydroxyacetonitrile.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk_germany
WGK 3
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Formation of hydroxyacetonitrile (HOCH2CN) and polyoxymethylene (POM)-derivatives in comets from formaldehyde (CH2O) and hydrogen cyanide (HCN) activated by water.
Danger G, et al.
Physical Chemistry Chemical Physics, 16(8), 3360-3370 (2014)
Microwave and Quantum-Chemical Study of Conformational Properties and Intramolecular Hydrogen Bonding of 2-Hydroxy-3-Butynenitrile (HC=CCH(OH)C=N).
M?llendal H, et al.
The Journal of Physical Chemistry A, 119(4), 634-640 (2015)
Hydroxyacetonitrile (HOCH2CN) formation in astrophysical conditions. competition with the aminomethanol, a glycine precursor.
Danger G, et al.
The Astrophysical Journal, 756(1), 11-11 (2012)
Rotational isomerism and barriers to internal rotation in hydroxyacetonitrile from microwave spectroscopy.
Cazzoli G, et al.
J. Chem. Soc., Faraday II, 69, 569-578 (1973)
G Arrhenius et al.
The Journal of organic chemistry, 62(16), 5522-5525 (1997-08-08)
A study of glycolonitrile polymerization has led to the isolation and characterization of two 2,5-dihydro-4-aminooxazoles, 4 and 5. Previous reports have misassigned these structures as s-triazines or pyrimidines. X-ray diffraction analysis of crystals of 4 and an acetylated oxazole derivative
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