cyclobutanecarbonitrile - ≥97% , CAS No.4426-11-3

CAS: 4426-11-3 Cat. No.: C479085 Formula: C₅H₇N Molecular Weight: 81.12 Beilstein Registry Number: 2037573 EC Number: 224-606-1

GRADE & PURITY ≥97%

Synonyms

cyclobutanecarbonitrile, AldrichCPR | Cyclobutanecarbonitrile | Cyanocyclobutane;Cyclobutanecarbonitrile | Z406694072 | BCP21734 | STL554602 | AKOS009158004 | BBL100808 | cyclobutane carbonitrile | EINECS 224-606-1 | Cyclobutyl cyanide | cyclobutancarboni

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

cyclobutanecarbonitrile, AldrichCPR | Cyclobutanecarbonitrile | Cyanocyclobutane;Cyclobutanecarbonitrile | Z406694072 | BCP21734 | STL554602 | AKOS009158004 | BBL100808 | cyclobutane carbonitrile | EINECS 224-606-1 | Cyclobutyl cyanide | cyclobutancarboni

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185523
• Canonical Smiles: C1CC(C1)C#N
• IUPAC Name: cyclobutanecarbonitrile
• InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
• INCHI: 1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
• Isomeric SMILES: C1CC(C1)C#N
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 81.12
• Beilstein: 2037573
• Reaxy-Rn: 2037573
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037573&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Refractive Index: 1.4325
• Boil Point(°C): 144-146℃
• Molecular Weight: 81.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 83.400
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 4426-11-3, the molecular formula is C5H7N, and the molecular weight is 81.12 g/mol. InChIKey GFBLFDSCAKHHGX-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.