Bicyclohexyl - ≥99% , CAS No.92-51-3

CAS: 92-51-3 Cat. No.: B106874 Formula: C₁₂H₂₂ Molecular Weight: 166.3 Beilstein Registry Number: 1848266 EC Number: 202-161-4

GRADE & PURITY ≥99%

Synonyms

BCH | 1,1'-Biphenyl, dodecahydro- | Cyclohexane, cyclohexyl- | Dicyclohexyl, United States Pharmacopeia (USP) Reference Standard | NSC59855 | NSC-59855 | NSC 59855 | DICYCLOHEXYL | CAS-92-51-3 | 1,1'-Bi(cyclohexane) | AI3-01174 | FT-0624222 | bi(cyclohexa

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BCH | 1,1'-Biphenyl, dodecahydro- | Cyclohexane, cyclohexyl- | Dicyclohexyl, United States Pharmacopeia (USP) Reference Standard | NSC59855 | NSC-59855 | NSC 59855 | DICYCLOHEXYL | CAS-92-51-3 | 1,1'-Bi(cyclohexane) | AI3-01174 | FT-0624222 | bi(cyclohexa

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488180281

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180281

Canonical Smiles

C1CCC(CC1)C2CCCCC2

IUPAC Name

cyclohexylcyclohexane

InChIKey

WVIIMZNLDWSIRH-UHFFFAOYSA-N

INCHI

1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

Isomeric SMILES

C1CCC(CC1)C2CCCCC2

WGK Germany

3

UN Number

3295

Molecular Weight

166.3

Beilstein

1848266

Reaxy-Rn

1848266

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848266&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saturated hydrocarbons
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Saturated hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as saturated hydrocarbons. These are hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes.
• 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

Chemical and Physical Properties

• Solubility: Difficult to mix.
• Freezing Point(°C): 3 °C
• Refractive Index: 1.478-1.48
• Flash Point(°F): 197.6 °F
• Flash Point(°C): 92 °C
• Boil Point(°C): 227°C
• Melt Point(°C): 3-4°C
• Molecular Weight: 166.300 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 166.172 Da
• Monoisotopic Mass: 166.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 100.000
• 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