3-Cyanopropanoic acid - ≥98% , CAS No.16051-87-9

CAS: 16051-87-9 Cat. No.: C191241 Fórmula: C₄H₅NO₂ Peso molecular: 99.09 Número EC: 801-819-3

GRADE & PURITY ≥98%

Synonyms

EN300-83189 | BXYQHDXDCJQOFD-UHFFFAOYSA-N | Propanoic acid,3-cyano- | 3-cyanopropanoic acid, AldrichCPR | MFCD00233974 | J-512364 | FT-0602764 | NSC97378 | NSC-97378 | GS-3867 | Propanoic acid, 3-cyano- | 3-Cyanopropionic Acid | beta-cyanopropionic acid |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EN300-83189 | BXYQHDXDCJQOFD-UHFFFAOYSA-N | Propanoic acid,3-cyano- | 3-cyanopropanoic acid, AldrichCPR | MFCD00233974 | J-512364 | FT-0602764 | NSC97378 | NSC-97378 | GS-3867 | Propanoic acid, 3-cyano- | 3-Cyanopropionic Acid | beta-cyanopropionic acid |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758205
• Sonrisas canónicas: C(CC(=O)O)C#N
• IUPAC Name: 3-cyanopropanoic acid
• InChIKey: BXYQHDXDCJQOFD-UHFFFAOYSA-N
• INCHI: 1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)
• Isómeros SMILES: C(CC(=O)O)C#N
• Peso molecular: 99.09
• Reaxy-Rn: 1745186
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745186&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

• Punto de ebullición (°C): 313.5°C
• Peso molecular: 99.090 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 99.032 Da
• Monoisotopic Mass: 99.032 Da
• Topological Polar Surface Area: 61.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 110.000
• 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

Preguntas frecuentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 16051-87-9, the molecular formula is C4H5NO2, and the molecular weight is 99.09 g/mol. InChIKey BXYQHDXDCJQOFD-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.