Ethyl cyanoacetate - ≥99% , CAS No.105-56-6

CAS: 105-56-6 Cat. No.: E105739 Peso molecular: 113.11 Beilstein Registry Number: 605871 Número EC: 203-309-0

GRADE & PURITY ≥99%

Synonyms

Ethyl 2-cyanoacetate;Cyanoacetic acid ethyl ester | ACETIC ACID,CYANO,ETHYL ESTER | EC 203-309-0 | ETHYL CYANOACETATE [MI] | C90336 | DTXCID506718 | ETHYLCYANOACETATE | ethyl-cyanoacetate | F0001-0108 | Q-201084 | Ethyl2-Cyanoacetate-13C15N | Ethylester k

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Ethyl cyanoacetate is an ester. Knoevenagel condensation of ethyl cyanoacetate with aldehyde is reported. Microwave enhanced Knoevenegal condensation reaction of ethyl cyanoacetate with an aldehyde, P2O5, piperidine and chlorobenzene is reported.

Specifications

Sinónimos

Ethyl 2-cyanoacetate;Cyanoacetic acid ethyl ester | ACETIC ACID, CYANO, ETHYL ESTER | EC 203-309-0 | ETHYL CYANOACETATE [MI] | C90336 | DTXCID506718 | ETHYLCYANOACETATE | ethyl-cyanoacetate | F0001-0108 | Q-201084 | Ethyl2-Cyanoacetate-13C15N | Ethylester k

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180558
• Sonrisas canónicas: CCOC(=O)CC#N
• IUPAC Name: ethyl 2-cyanoacetate
• InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
• Isómeros SMILES: CCOC(=O)CC#N
• WGK Alemania: 1
• RTECS: AG4110000
• Número ONU: 3276
• Grupo de embalaje: I
• Peso molecular: 113.11
• Beilstein: 605871
• Reaxy-Rn: 605871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid 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
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: It is slightly soluble in water. Mostly soluble in organic solvents such as chloroform, ethyl acetate.
• Sensibilidad: Light sensitive
• Índice de refracción: 1.417-1.419
• Punto de inflamación (°C): 110℃
• Punto de ebullición (°C): 206～208°C
• Punto de fusión (°C): -22.5°C
• Peso molecular: 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: 50.100 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

Referencias

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