Tridecane - analytical standard, ≥99.5%(GC) , CAS No.629-50-5

CAS: 629-50-5 Cat. No.: T108180 Fórmula: C₁₃H₂₈ Peso molecular: 184.36 Beilstein Registry Number: 1733089 Número CE: 211-093-4

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

CAS-629-50-5 | Tox21_303043 | Tridekan | STL301147 | Tridecane_GurudeebanSatyavani | DTXCID307266 | HY-W088037 | MFCD00008979 | Q150788 | TRIDECANE [INCI] | Dodecane, methyl- | NSC66205 | NSC-66205 | N-TRIDECANE | T0411 | EC 211-093-4 | HSDB 5727 | Tridec

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAS-629-50-5 | Tox21_303043 | Tridekan | STL301147 | Tridecane_GurudeebanSatyavani | DTXCID307266 | HY-W088037 | MFCD00008979 | Q150788 | TRIDECANE [INCI] | Dodecane, methyl- | NSC66205 | NSC-66205 | N-TRIDECANE | T0411 | EC 211-093-4 | HSDB 5727 | Tridec

Especificações e pureza

analytical standard, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Padrão analítico

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

528770208

Sorrisos canónicos

CCCCCCCCCCCCC

IUPAC Name

tridecane

InChIKey

IIYFAKIEWZDVMP-UHFFFAOYSA-N

INCHI

1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCC

WGK Alemanha

3

RTECS

YD3025000

Número UN

1993

Grupo de embalagem

I

Peso molecular

184.36

Beilstein

1733089

Reaxy-Rn

1733089

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733089&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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.4256
• Ponto de inflamação (°F): 201.2 °F - closed cup
• Ponto de inflamação (°C): （closed cup）79℃
• Ponto de ebulição (°C): 235.4°C
• Ponto de fusão (°C): -5.5°C
• Peso molecular: 184.360 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 184.219 Da
• Monoisotopic Mass: 184.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 66.100
• 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