Pivalonitrile - ≥98% , CAS No.630-18-2

CAS: 630-18-2 Cat. No.: P160477 Summenformel: C₅H₉N Molekulargewicht: 83.13 Beilstein Registry Number: 1361450 EG-Nummer: 211-133-0 PubChem CID: 12416

QUALITÄT & REINHEIT ≥98%

Synonyms

AI3-33242 | 2,2-dimethylpropane nitrile | Trimethyl acetonitrile | 2,2-DIMETHYLPROPANENITRIL | InChI=1/C5H9N/c1-5(2,3)4-6/h1-3H | Propanenitrile, 2,2-dimethyl- | LS-11506 | 2,2-Dimethylpropanenitrile | 2,2-Dimethyl-propanenitrile | NSC 890 | Propanenitril

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

AI3-33242 | 2,2-dimethylpropane nitrile | Trimethyl acetonitrile | 2,2-DIMETHYLPROPANENITRIL | InChI=1/C5H9N/c1-5(2,3)4-6/h1-3H | Propanenitrile, 2,2-dimethyl- | LS-11506 | 2,2-Dimethylpropanenitrile | 2,2-Dimethyl-propanenitrile | NSC 890 | Propanenitril

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504752336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752336

Kanonisches Lächeln

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

Isomere SMILES

CC(C)(C)C#N

WGK Deutschland

3

PubChem CID

12416

Molekulargewicht

83.13

Beilstein

1361450

Reaxy-Rn

1361449

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 acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic 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 ethanol, acetone and toluene. Slightly miscible with water.
• Brechungsindex: 1.38
• Flammpunkt (°F): 39.2 °F
• Flammpunkt (°C): 21°C(lit.)
• Siedepunkt (°C): 105°C
• Schmelzpunkt (°C): 15 °C
• Molekulargewicht: 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