Cyclopropylacetonitrile - ≥97% , CAS No.6542-60-5

CAS: 6542-60-5 Cat. No.: C339744 Summenformel: C₅H₇N Molekulargewicht: 81.12 EG-Nummer: 628-930-8

GRADE & PURITY ≥97%

Synonyms

FT-0686393 | FT-0636177 | MFCD00041523 | A835111 | EN300-76167 | AM20100595 | InChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H | 4-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester | AKOS005207232 | 2-cyclopropylacetonitrile | 2-cyclopropylethanenitrile | Cyclopropyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

FT-0686393 | FT-0636177 | MFCD00041523 | A835111 | EN300-76167 | AM20100595 | InChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H | 4-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester | AKOS005207232 | 2-cyclopropylacetonitrile | 2-cyclopropylethanenitrile | Cyclopropyl

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488190962
• Kanonisches Lächeln: C1CC1CC#N
• IUPAC Name: 2-cyclopropylacetonitrile
• InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
• INCHI: 1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
• Isomere SMILES: C1CC1CC#N
• Molekulargewicht: 81.12
• Reaxy-Rn: 2036964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036964&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 homomonocyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic 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: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, methylene chloride and alcohols.
• Brechungsindex: n20/D 1.4235 (lit.)
• Siedepunkt (°C): 142-144° C (lit.)
• Molekulargewicht: 81.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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

Häufig gestellte Fragen

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 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.

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

The CAS Number is 6542-60-5, the molecular formula is C5H7N, and the molecular weight is 81.12 g/mol. InChIKey FAUQRRGKJKMEIW-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.