2,2-Dimethylpentane - ≥99% , CAS No.590-35-2

CAS: 590-35-2 Cat. No.: D106287 Fórmula: C₇H₁₆ Peso molecular: 100.20 Beilstein Registry Number: 1730757 Número CE: 209-680-5

GRAU & PUREZA ≥99%

Synonyms

1,1,1-Trimethylbutane|2,2-DIMETHYLPENTANE|2,2-dimethyl-pentane|Pentane, 2,2-dimethyl-; 2,2-Dimethylpentane|Pentane, 2,2-dimethyl-

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

2,2-Dimethylpentane is a component of the corona discharge of a simulated Titan′s atmosphere.

Especificações

Sinónimos

1,1,1-Trimethylbutane | 2,2-DIMETHYLPENTANE | 2,2-dimethyl-pentane | Pentane, 2,2-dimethyl-; 2,2-Dimethylpentane | Pentane, 2,2-dimethyl-

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504752155

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752155

Sorrisos canónicos

CCCC(C)(C)C

IUPAC Name

2,2-dimethylpentane

InChIKey

CXOWYJMDMMMMJO-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3

SMILES isoméricas

CCCC(C)(C)C

WGK Alemanha

3

Número UN

3295

Peso molecular

100.20

Beilstein

1730757

Reaxy-Rn

1730757

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in ethanol, ether, acetone, benzene, etc.
• Índice de refração: 1.381-1.383
• Ponto de inflamação (°F): 15.8 °F
• Ponto de inflamação (°C): -9 °C
• Ponto de ebulição (°C): 79°C
• Peso molecular: 100.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 38.500
• 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