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

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

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS009157709 | hex-5-enenitrilo | J-640295 | 5-Hexenenitrilo | 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

Visão geral

Introdução do produto

o 5-Hexenenitrilo, um nitrilo alifático, é um composto volátil que se forma como produto de degradação da glucobrassicanapina em Aurinia sinuata. É relatado como um atrativo da colza para o gorgulho das sementes de couve, Ceutorhynchus assimilis. o 5-Hexenenitrilo é o principal composto volátil encontrado no extrato de trigo. É submetido à oxidação de Wacker para formar a metilcetona correspondente utilizando o sistema catalítico PdCl2-DMA (dicloreto de paládio-N,N-diemtilacetamida).

Aplicação

o 5-Hexenenitrilo pode ser utilizado na síntese do 1,8-diciano-4-octeno.

Specifications

Sinónimos

AKOS009157709 | hex-5-enenitrilo | J-640295 | 5-Hexenenitrilo | 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

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

488187725

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

C=CCCCC#N

WGK Alemanha

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
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water. Soluble in alcohol.
• Índice de refração: 1.43
• Ponto de inflamação (°F): 104 °F
• Ponto de inflamação (°C): 41°C(lit.)
• Ponto de ebulição (°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

Perguntas frequentes

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.