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

CAS: 108-08-7 Cat. No.: D155236 分子式: C₇H₁₆ 分子量: 100.21 Beilstein Registry Number: 1696860 EC番号: 203-548-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥99%(GC)

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

純度

≥99%(GC)

名前と識別子

パブケム・シド

504751501

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CC(C)CC(C)C

WGKドイツ

3

UN番号

3295

包装グループ

II

分子量

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
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in acetone, benzene, chloroform, alcohol and ether.
• 屈折率: 1.381(lit.)
• 引火点（°F）: 19.4 °F
• 引火点（°C）: -7°C
• 沸点（°C）: 80 °C(lit.)
• 融点（°C）: -123°C(lit.)
• 分子量: 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