Cyclopropyl Cyanide - ≥97%(GC) , CAS No.5500-21-0

CAS: 5500-21-0 Cat. No.: C153826 Formule: C₄H₅N Poids moléculaire: 67.09 Beilstein Registry Number: 635790 Numéro CE: 226-836-8

QUALITÉ & PURETÉ ≥97%(GC)

Synonyms

cyclopropancarbonitril | cyclopropane carbonitrile | Cyclopropanecarboxylic acid nitrile | Q89W563T9J | InChI=1/C4H5N/c5-3-4-1-2-4/h4H,1-2H | Q5198968 | AFU99GZS5D | AI3-07023 | STK328117 | CHEBI:8939 | Cyclopropylnitrile | cyclopropankohlenitrile | F0001

Storage

Room temperature,Desiccated

Shipped In

Normal

Spécifications

Synonymes

cyclopropancarbonitril | cyclopropane carbonitrile | Cyclopropanecarboxylic acid nitrile | Q89W563T9J | InChI=1/C4H5N/c5-3-4-1-2-4/h4H,1-2H | Q5198968 | AFU99GZS5D | AI3-07023 | STK328117 | CHEBI:8939 | Cyclopropylnitrile | cyclopropankohlenitrile | F0001

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488185757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185757

Sourires canoniques

C1CC1C#N

IUPAC Name

cyclopropanecarbonitrile

InChIKey

AUQDITHEDVOTCU-UHFFFAOYSA-N

INCHI

1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

Isomères SMILES

C1CC1C#N

WGK Allemagne

2

Numéro ONU

3275

Groupe d'emballage

II

Poids moléculaire

67.09

Beilstein

635790

Reaxy-Rn

635790

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635790&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 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.421
• Point d'éclair (°F): 104 °F
• Point d'éclair (°C): 40°C
• Point d'ébullition (°C): 134-135°C
• Poids moléculaire: 67.090 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 67.0422 Da
• Monoisotopic Mass: 67.0422 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 72.900
• 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