2,5-ジメチルヘプタン - ≥98% , CAS No.2216-30-0

CAS: 2216-30-0 Cat. No.: D155227 分子式: C₉H₂₀ 分子量: 128.26 Beilstein Registry Number: 1(4)457 EC番号: 621-914-1

GRADE & PURITY ≥98%

Synonyms

2,5-ジメチルヘプタン｜Q2813793｜DTXSID70862874｜HQZHQNKZOYIKQC-UHFFFAOYSA-N｜LMFA11000603｜MFCD00048662｜D1205｜ヘプタン、2,5-ジメチル｜HQZHQNKZOYIKQC-UHFFFAOYSA-｜InChI=1/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3｜3,6-Dim

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

2,5-ジメチルヘプタン｜Q2813793｜DTXSID70862874｜HQZHQNKZOYIKQC-UHFFFAOYSA-N｜LMFA11000603｜MFCD00048662｜D1205｜ヘプタン、2,5-ジメチル｜HQZHQNKZOYIKQC-UHFFFAOYSA-｜InChI=1/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3｜3,6-Dim

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 504752771
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752771
• カノニカル・スマイル: CCC(C)CCC(C)C
• IUPAC Name: 2,5-dimethylheptane
• InChIKey: HQZHQNKZOYIKQC-UHFFFAOYSA-N
• INCHI: 1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
• 異性体SMILES: CCC(C)CCC(C)C
• UN番号: 1920
• 包装グループ: III
• 分子量: 128.26
• Beilstein: 1(4)457
• Reaxy-Rn: 1718789
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718789&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: Hydrocarbons

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 Benzene,Acetone,Ether
• 屈折率: 1.4
• 引火点（°F）: 23°C(lit.)
• 引火点（°C）: 23°C(lit.)
• 沸点（°C）: 136°C
• 分子量: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2216-30-0, the molecular formula is C9H20, and the molecular weight is 128.26 g/mol. InChIKey HQZHQNKZOYIKQC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.