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1-Cyanovinyl Acetate (stabilized with TBC) - >97.0%(GC), high purity , CAS No.3061-65-2
Basic Description
Synonyms
1-Cyanovinyl Acetate (stabilized with TBC) | 1-Cyanovinyl acetate | alpha-Acetoxyacrylonitrile | 2-Acetoxyacrylonitrile | 2-Propenenitrile, 2-(acetyloxy)- | 1-cyanoethenyl acetate | 1-Acetoxy-1-cyanoethylene
Specifications & Purity
≥97%(GC)
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters
Direct Parent
Enol esters
Alternative Parents
Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enol ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488182456
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182456
IUPAC Name
1-cyanoethenyl acetate
INCHI
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
InChIKey
LFSHREXVLSTLFB-UHFFFAOYSA-N
Smiles
CC(=O)OC(=C)C#N
Isomeric SMILES
CC(=O)OC(=C)C#N
RTECS
AG4550000
Molecular Weight
111.1
Beilstein
3(3)684
Reaxy-Rn
1751158
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751158&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive,Moisture Sensitive,Heat Sensitive
Refractive Index
1.43
Flash Point(°C)
69°C(lit.)
Boil Point(°C)
173°C(lit.)
Molecular Weight
111.100 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
111.032 Da
Monoisotopic Mass
111.032 Da
Topological Polar Surface Area
50.100 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
163.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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K2412355