1,1,3,3-Tetramethylbutyl Isocyanide - ≥90% , CAS No.14542-93-9

CAS: 14542-93-9 Cat. No.: T498736 Peso molecular: 139.24 Número EC: 238-577-8 PubChem CID: 26725

GRADE & PURITY ≥90%

Synonyms

1,1,3,3-Tetramethylbutyl isocyanide|14542-93-9|Pentane, 2-isocyano-2,4,4-trimethyl-|2-ISOCYANO-2,4,4-TRIMETHYLPENTANE|tert-Octylisocyanide|1,1,3,3-Tetramethylbutylisonitrile|9EVN2N5TVN|Butyl isocyanide, 1,1,3,3-tetramethyl-|1,1,3,3-tetramethylbutylisocyan

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 1, 3, 3-Tetramethylbutyl isocyanide | 14542-93-9 | Pentane, 2-isocyano-2, 4, 4-trimethyl- | 2-ISOCYANO-2, 4, 4-TRIMETHYLPENTANE | tert-Octylisocyanide | 1, 1, 3, 3-Tetramethylbutylisonitrile | 9EVN2N5TVN | Butyl isocyanide, 1, 1, 3, 3-tetramethyl- | 1, 1, 3, 3-tetramethylbutylisocyan

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488183029
• Sonrisas canónicas: CC(C)(C)CC(C)(C)[N+]#[C-]
• IUPAC Name: 2-isocyano-2,4,4-trimethylpentane
• InChIKey: YVPXQMYCTGCWBE-UHFFFAOYSA-N
• INCHI: 1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3
• Isómeros SMILES: CC(C)(C)CC(C)(C)[N+]#[C-]
• PubChem CID: 26725
• Peso molecular: 139.24
• Reaxy-Rn: 2076559

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic isocyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic isocyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic isocyanides
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-).
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.42
• Punto de inflamación (°F): 52°C(lit.)
• Punto de inflamación (°C): 52°C(lit.)
• Punto de ebullición (°C): 50°C/12mmHg
• Peso molecular: 139.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.136 Da
• Monoisotopic Mass: 139.136 Da
• Topological Polar Surface Area: 4.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• 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