4-Pentenenitrile - ≥97%(GC) , CAS No.592-51-8

CAS: 592-51-8 Cat. No.: P160479 Formula: C₅H₇N Peso molecolare: 81.12 Numero EC: 209-762-0 PubChem CID: 11604

GRADE & PURITY ≥97%(GC)

Synonyms

HSDB 5709 | CFEYBLWMNFZOPB-UHFFFAOYSA- | 4-Pentenonitrile | InChI=1/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2 | 89HYM37372 | NCGC00258676-01 | AKOS005255308 | BBL100738 | STL554532 | Allylmethyl cyanide | C16042 | NCGC00091813-02 | J-800351 | 4-Cyano-1-butene | 4-PE

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

4-Pentenenitrile (4-PN) is a terminal alkene nitrile. It is obtained from 3-pentenenitrile via cationic nickel hydride or cobalt catalyzed isomerization.4-Pentenenitrile undergoes hydrocyanation in the presence of bidentate nickel complexes (catalysts) to yield 3-pentenenitrile. 4-PN undergoes gas-phase reaction with OH radicals and Cl atoms in the presence of synthetic air and various reference compounds

Application

4-Pentenenitrile may be used to synthesize 4-pentenylamine

Specifications

Sinonimi

HSDB 5709 | CFEYBLWMNFZOPB-UHFFFAOYSA- | 4-Pentenonitrile | InChI=1/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2 | 89HYM37372 | NCGC00258676-01 | AKOS005255308 | BBL100738 | STL554532 | Allylmethyl cyanide | C16042 | NCGC00091813-02 | J-800351 | 4-Cyano-1-butene | 4-PE

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488181394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181394

Sorrisi canonici

C=CCCC#N

IUPAC Name

pent-4-enenitrile

InChIKey

CFEYBLWMNFZOPB-UHFFFAOYSA-N

INCHI

1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2

Isomeri SMILES

C=CCCC#N

WGK Germania

3

PubChem CID

11604

Peso molecolare

81.12

Reaxy-Rn

1736705

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
• Descrizione: 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

Obiettivi associati (umani)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Miscible with Ether,Alcohol
• Sensibilità: air sensitive
• Indice di rifrazione: 1.42
• Punto di infiammabilità (°C): 60℃
• Punto di ebollizione (°C): 140°C
• Peso molecolare: 81.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 81.0578 Da
• Monoisotopic Mass: 81.0578 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 75.200
• 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

Domande frequenti

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

The CAS Number is 592-51-8, the molecular formula is C5H7N, and the molecular weight is 81.12 g/mol. InChIKey CFEYBLWMNFZOPB-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

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