Ethyl 2,3-Dicyanopropionate - ≥98% , CAS No.40497-11-8

CAS: 40497-11-8 Cat. No.: E338468 Formule: C₇H₈N₂O₂ Poids moléculaire: 152.15 Numéro CE: 609-836-6

QUALITÉ & PURETÉ ≥98%

Synonyms

FT-0655375 | DTXSID60443934 | E1366 | AC-414 | J-520666 | NPZOLWMDTPEVEI-UHFFFAOYSA-N | AKOS006287159 | InChI=1/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H | AMY3976 | AS-10975 | ethyl 2,3-dicyanopropionate | Ethyl 2,3-dicyanopropanoate | Propanoic aci

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Ethyl 2,3-Dicyanopropionate is an intermediate used asinsecticide.

Spécifications

Synonymes

FT-0655375 | DTXSID60443934 | E1366 | AC-414 | J-520666 | NPZOLWMDTPEVEI-UHFFFAOYSA-N | AKOS006287159 | InChI=1/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H | AMY3976 | AS-10975 | ethyl 2,3-dicyanopropionate | Ethyl 2,3-dicyanopropanoate | Propanoic aci

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765594

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765594

Sourires canoniques

CCOC(=O)C(CC#N)C#N

IUPAC Name

ethyl 2,3-dicyanopropanoate

InChIKey

NPZOLWMDTPEVEI-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3

Isomères SMILES

CCOC(=O)C(CC#N)C#N

Poids moléculaire

152.15

Reaxy-Rn

1776265

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776265&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Chloroform
• Point d'éclair (°C): 148 °C
• Point d'ébullition (°C): 140 °C/1 mmHg
• Poids moléculaire: 152.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 229.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40497-11-8, the molecular formula is C7H8N2O2, and the molecular weight is 152.15 g/mol. InChIKey NPZOLWMDTPEVEI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.