2-Methylbutyronitrile - ≥95%(GC) , CAS No.18936-17-9

CAS: 18936-17-9 Cat. No.: M158304 Summenformel: C₅H₉N Molekulargewicht: 83.13 Beilstein Registry Number: 2(4)892 EG-Nummer: 242-687-1

GRADE & PURITY ≥95%(GC)

Synonyms

2-CyanobutaneL | sec-Butyl Cyanide | sec-Butyl Cyanide | 2-Cyanobutane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-CyanobutaneL | sec-Butyl Cyanide | sec-Butyl Cyanide | 2-Cyanobutane

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

488183098

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183098

Kanonisches Lächeln

CCC(C)C#N

IUPAC Name

2-methylbutanenitrile

InChIKey

RCEJCSULJQNRQQ-UHFFFAOYSA-N

INCHI

1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

Isomere SMILES

CCC(C)C#N

RTECS

EU0530000

UN-Nummer

3275

Verpackungsgruppe

II

Molekulargewicht

83.13

Beilstein

2(4)892

Reaxy-Rn

1719847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719847&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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: a nitrile

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

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 25°C(lit.)
• Siedepunkt (°C): 125 °C
• Molekulargewicht: 83.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 83.0735 Da
• Monoisotopic Mass: 83.0735 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 67.300
• 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

Häufig gestellte Fragen

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 18936-17-9, the molecular formula is C5H9N, and the molecular weight is 83.13 g/mol. InChIKey RCEJCSULJQNRQQ-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.