Pivalonitril - Ultra dry, ≥99.9%, H2O≤30ppm , CAS No.630-18-2

CAS: 630-18-2 Cat. No.: P1539837 Formule: C₅H₉N Poids moléculaire: 83.13 Beilstein Registry Number: 1361450 Numéro CE: 211-133-0 PubChem CID: 12416

GRADE & PURITY Ultra dry, ≥99.9%, H2O≤30ppm

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

Ultra dry, ≥99.9%, H2O≤30ppm

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Ultra dry

Pureté

≥99.9%

Noms et identifiants

Sourires canoniques

CC(C)(C)C#N

IUPAC Name

2,2-dimethylpropanenitrile

InChIKey

JAMNHZBIQDNHMM-UHFFFAOYSA-N

INCHI

1S/C5H9N/c1-5(2,3)4-6/h1-3H3

Isomères SMILES

CC(C)(C)C#N

WGK Allemagne

3

PubChem CID

12416

Poids moléculaire

83.13

Beilstein

1361450

Reaxy-Rn

1361449

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
• 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

• Solubilité: Miscible with ethanol, acetone and toluene. Slightly miscible with water.
• Indice de réfraction: 1.38
• Point d'éclair (°F): 39.2 °F
• Point d'éclair (°C): 21°C(lit.)
• Point d'ébullition (°C): 105°C
• Point de fusion (°C): 15 °C
• Poids moléculaire: 83.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 77.800
• 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