2,4-Dimethylpentane - ≥99%(GC) , CAS No.108-08-7

CAS: 108-08-7 Cat. No.: D155236 Fórmula: C₇H₁₆ Peso molecular: 100.21 Beilstein Registry Number: 1696860 Número CE: 203-548-0

GRAU & PUREZA ≥99%(GC)

Synonyms

Pentane, 2,4-dimethyl-; 2,4-Dimethylpentane; NSC 61989|Pentane, 2,4-dimethyl-|2,4-DIMETHYLPENTANE|2,4-dimethyl-pentane|Diisopropylmethane

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Especificações

Sinónimos

Pentane, 2,4-dimethyl-; 2,4-Dimethylpentane; NSC 61989 | Pentane, 2,4-dimethyl- | 2,4-DIMETHYLPENTANE | 2,4-dimethyl-pentane | Diisopropylmethane

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

504751501

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751501

Sorrisos canónicos

CC(C)CC(C)C

IUPAC Name

2,4-dimethylpentane

InChIKey

BZHMBWZPUJHVEE-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3

SMILES isoméricas

CC(C)CC(C)C

WGK Alemanha

3

Número UN

3295

Grupo de embalagem

II

Peso molecular

100.21

Beilstein

1696860

Reaxy-Rn

1696855

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696855&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: Soluble in acetone, benzene, chloroform, alcohol and ether.
• Índice de refração: 1.381(lit.)
• Ponto de inflamação (°F): 19.4 °F
• Ponto de inflamação (°C): -7°C
• Ponto de ebulição (°C): 80 °C(lit.)
• Ponto de fusão (°C): -123°C(lit.)
• Peso molecular: 100.200 g/mol
• XLogP3: 3.400
• 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: 29.300
• 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