5-Hexenenitrile - ≥95%(GC) , CAS No.5048-19-1

CAS: 5048-19-1 Cat. No.: H157042 Fórmula: C₆H₉N Peso molecular: 95.15 Número EC: 624-976-8

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS009157709 | hex-5-enenitrile | J-640295 | 5-Hexenenitrile | J-800299 | DTXSID50198502 | 5-Cyano-1-pentene | hex-1-ene-6-nitrile | 4-Pentenyl cyanide | EN300-139487 | H0836 | MFCD00067056 | FT-0620447 | D90957 | 5-Hexenenitrile, 95%

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Introduction

5-Hexenenitrile, an aliphatic nitrile, is a volatile compound that is formed as a degradation product of glucobrassicanapin in Aurinia sinuata. It is reported to be an attractant from oilseed rape for the cabbage seed weevil, Ceutorhynchus assimilis. 5-Hexenenitrile is the main volatile compound found in wheat extract. It undergoes Wacker oxidation to form the corresponding methyl ketone using PdCl2-DMA (palladium dichloride-N,N-diemthylacetamide) catalytic system.

Application

5-Hexenenitrile may be used in the synthesis of 1,8-dicyano-4-octene.

Specifications

Sinónimos

AKOS009157709 | hex-5-enenitrile | J-640295 | 5-Hexenenitrile | J-800299 | DTXSID50198502 | 5-Cyano-1-pentene | hex-1-ene-6-nitrile | 4-Pentenyl cyanide | EN300-139487 | H0836 | MFCD00067056 | FT-0620447 | D90957 | 5-Hexenenitrile, 95%

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488187725

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187725

Sonrisas canónicas

C=CCCCC#N

IUPAC Name

hex-5-enenitrile

InChIKey

UNAQSRLBVVDYGP-UHFFFAOYSA-N

INCHI

1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2

Isómeros SMILES

C=CCCCC#N

WGK Alemania

3

Peso molecular

95.15

Reaxy-Rn

1739773

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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: Insoluble in water. Soluble in alcohol.
• Índice de refracción: 1.43
• Punto de inflamación (°F): 104 °F
• Punto de inflamación (°C): 41°C(lit.)
• Punto de ebullición (°C): 162°C
• Peso molecular: 95.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 95.0735 Da
• Monoisotopic Mass: 95.0735 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 85.600
• 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, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5048-19-1, the molecular formula is C6H9N, and the molecular weight is 95.15 g/mol. InChIKey UNAQSRLBVVDYGP-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.