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

CAS: 2216-30-0 Cat. No.: D155227 분자식: C₉H₂₀ 분자량: 128.26 Beilstein Registry Number: 1(4)457 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752771
• 정식 스마일: 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
• 이성체 SMILES: CCC(C)CCC(C)C
• UN 번호: 1920
• 포장 그룹: III
• 분자량: 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
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Benzene,Acetone,Ether
• 굴절률: 1.4
• 발화점(°F): 23°C(lit.)
• 발화점(°C): 23°C(lit.)
• 끓는점(°C): 136°C
• 분자량: 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

자주 묻는 질문

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.