3-Hydroxypropionitrile-2,2,3,3-d4

Base Information

• Chemical Name: 3-Hydroxypropionitrile-2,2,3,3-d4
• CAS No.: 122775-18-2
• Molecular Formula: C3HD4NO
• Molecular Weight: 75.1
• European Community (EC) Number: 694-179-8
• DSSTox Substance ID: DTXSID60483017
• Wikidata: Q82319953
• Mol file: 122775-18-2.mol

Synonyms:3-Hydroxypropionitrile-2,2,3,3-d4;122775-18-2;2,2,3,3-tetradeuterio-3-hydroxypropanenitrile;DTXSID60483017;AKOS015911142;Propanenitrile-2,2,3,3-d4,3-hydroxy-(9ci);3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4;3-Hydroxypropionitrile-2,2,3,3-d4, 98 atom % D

Chemical Property of 3-Hydroxypropionitrile-2,2,3,3-d4

Chemical Property:

• Melting Point: -46 °C
• Boiling Point: 228 °C(lit.)
• Flash Point: 113 °C
• PSA: 44.02000
• Density: 1.041 g/mL at 25 °C
• LogP: -0.10762
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 75.062220767
• Heavy Atom Count: 5
• Complexity: 51.2

Purity/Quality:

99% ^*data from raw suppliers

3-HYDROXYPROPIONITRILE-2,2,3,3-D4 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C#N
• Isomeric SMILES: [2H]C([2H])(C#N)C([2H])([2H])O
• Uses: 3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 is an intermediate in synthesizing 3-Hydroxypropionic Acid-D4 Sodium Salt (H952482), a deuterium labelled analogue of 3-Hydroxypropionic Acid Sodium Salt (H952480), which is beta hydroxy acid derived from plants and crops such as corn. 3-Hydroxypropionic Acid is used in the preparation of acrylates and biodegradable polymer polyester.