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

CAS: 630-18-2 Cat. No.: P1539837 Formula: C₅H₉N Peso molecolare: 83.13 Beilstein Registry Number: 1361450 Numero EC: 211-133-0 PubChem CID: 12416

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

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

Ultra dry, ≥99.9%, H2O≤30ppm

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Ultra dry

Purezza

≥99.9%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

CC(C)(C)C#N

WGK Germania

3

PubChem CID

12416

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Miscible with ethanol, acetone and toluene. Slightly miscible with water.
• Indice di rifrazione: 1.38
• Punto di infiammabilità (°F): 39.2 °F
• Punto di infiammabilità (°C): 21°C(lit.)
• Punto di ebollizione (°C): 105°C
• Punto di fusione (°C): 15 °C
• Peso molecolare: 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