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Ethyl Isocyanoacetate - 95%, high purity , CAS No.2999-46-4
Basic Description
Synonyms
Ethyl isocyanoacetate | 2999-46-4 | ethyl 2-isocyanoacetate | Isocyanoacetic Acid Ethyl Ester | ETHYLISOCYANOACETATE | MFCD00000007 | EINECS 221-077-9 | Acetic acid, 2-isocyano-, ethyl ester | ethyl iso-cyanoacetate | ethyl isocyano-acetate | ethyl 2-isocyanoacetat | ethyl iso
Specifications & Purity
≥95%
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.
Product Description
Material may darken upon storage
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Carboxylic acid esters Organic isocyanides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic isocyanide - 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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
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
IUPAC Name
ethyl 2-isocyanoacetate
INCHI
InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
InChIKey
FPULFENIJDPZBX-UHFFFAOYSA-N
Smiles
CCOC(=O)C[N+]#[C-]
Isomeric SMILES
CCOC(=O)C[N+]#[C-]
WGK Germany
3
UN Number
2810
Packing Group
III
Molecular Weight
113.12
Reaxy-Rn
1931044
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931044&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with organic solvents. Slightly miscible with water.
Sensitivity
light & heat & Moisture sensitive
Refractive Index
1.4160 to 1.4190
Flash Point(°F)
183.2 °F
Flash Point(°C)
84°C
Boil Point(°C)
90°C/20mmHg
Molecular Weight
113.110 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
113.048 Da
Monoisotopic Mass
113.048 Da
Topological Polar Surface Area
30.700 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
122.000
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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F2519031