trans-1,3-Dimethylcyclohexane - ≥95% , CAS No.2207-03-6

CAS: 2207-03-6 Cat. No.: T162877 Formule: C₈H₁₆ Poids moléculaire: 112.22 Numéro CE: 620-666-1

GRADE & PURITY ≥95%

Synonyms

1,trans-3-Dimethylcyclohexane | trans-1,3-Dimethylcyclohexane | SGVUHPSBDNVHKL-HTQZYQBOSA-N | 1,3-dimethyl(trans)-cyclohexane | (+/-)-trans-1,3-Dimethylcyclohexane | Cyclohexane, trans-1,3-dimethyl- | (1R,3R)-1,3-dimethylcyclohexane | Cyclohexane, 1,3-dim

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1,trans-3-Dimethylcyclohexane | trans-1,3-Dimethylcyclohexane | SGVUHPSBDNVHKL-HTQZYQBOSA-N | 1,3-dimethyl(trans)-cyclohexane | (+/-)-trans-1,3-Dimethylcyclohexane | Cyclohexane, trans-1,3-dimethyl- | (1R,3R)-1,3-dimethylcyclohexane | Cyclohexane, 1,3-dim

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528770538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770538

Sourires canoniques

CC1CCCC(C1)C

IUPAC Name

(1R,3R)-1,3-dimethylcyclohexane

InChIKey

SGVUHPSBDNVHKL-HTQZYQBOSA-N

INCHI

1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

Isomères SMILES

C[C@@H]1CCC[C@H](C1)C

Numéro ONU

2263

Groupe d'emballage

II

Poids moléculaire

112.22

Reaxy-Rn

1900339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'éclair (°C): 9 °C
• Point d'ébullition (°C): 124°C(lit.)
• Poids moléculaire: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 58.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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