2,5-Dimethylheptane - ≥98% , CAS No.2216-30-0

CAS: 2216-30-0 Cat. No.: D155227 Formule: C₉H₂₀ Poids moléculaire: 128.26 Beilstein Registry Number: 1(4)457 Numéro CE: 621-914-1

GRADE & PURITY ≥98%

Synonyms

2,5-DIMETHYLHEPTANE | 2,5-dimethyl-heptane | Q2813793 | DTXSID70862874 | HQZHQNKZOYIKQC-UHFFFAOYSA-N | LMFA11000603 | MFCD00048662 | D1205 | Heptane, 2,5-dimethyl- | 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

FedEx DG Service

Specifications

Synonymes

2,5-DIMETHYLHEPTANE | 2,5-dimethyl-heptane | Q2813793 | DTXSID70862874 | HQZHQNKZOYIKQC-UHFFFAOYSA-N | LMFA11000603 | MFCD00048662 | D1205 | Heptane, 2,5-dimethyl- | HQZHQNKZOYIKQC-UHFFFAOYSA- | InChI=1/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3 | 3,6-Dim

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504752771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752771
• Sourires canoniques: 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
• Isomères SMILES: CCC(C)CCC(C)C
• Numéro ONU: 1920
• Groupe d'emballage: III
• Poids moléculaire: 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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Benzene,Acetone,Ether
• Indice de réfraction: 1.4
• Point d'éclair (°F): 23°C(lit.)
• Point d'éclair (°C): 23°C(lit.)
• Point d'ébullition (°C): 136°C
• Poids moléculaire: 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

Foire aux questions

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.