Perfluorodecalin - ≥95%, mixture of cis and trans , CAS No.306-94-5

CAS: 306-94-5 Cat. No.: P169442 Formula: C₁₀F₁₈ Molecular Weight: 462.08 EC Number: 206-192-4 PubChem CID: 9386

GRADE & PURITY ≥95%, mixture of cis and trans

Synonyms

cis-Perfluorodecalin|Perfluorodecahydronaphthalene|decahydrooctadecafluoronaphthalene|Naphthalene, octadecafluorodecahydro-|perfluoro(decahydronaphthalene)|trans-Perfluorodecalin|Cis-perfluorodecaline|F-DC|Acri-deca|Octadecafluorodecahydronaphthalene|octadecafluoro-decahydro-naphthalene|octadecafluorodecalin|cis-Perfluorodecahydronaphthalene|PP 5|Perflunafene

Storage

Room temperature

Shipped In

Normal

Overview

Perfluorodecalin is a fluorous solvent generally used as a primary component of the fluorous biphasic system (FBS) or the fluorous multiphasic system (FMS) in synthetic chemistry. It is also used as an additive to increase oxygen solubility in fermentation media.

Specifications

Synonyms

cis-Perfluorodecalin | Perfluorodecahydronaphthalene | decahydrooctadecafluoronaphthalene | Naphthalene, octadecafluorodecahydro- | perfluoro(decahydronaphthalene) | trans-Perfluorodecalin | Cis-perfluorodecaline | F-DC | Acri-deca | Octadecafluorodecahydronaphthalene | octadecafluoro-decahydro-naphthalene | octadecafluorodecalin | cis-Pe Show more

Specifications & Purity

≥95%, mixture of cis and trans

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

488180971

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180971

Canonical Smiles

C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

IUPAC Name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene

InChIKey

UWEYRJFJVCLAGH-UHFFFAOYSA-N

INCHI

1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16

Isomeric SMILES

C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

WGK Germany

3

RTECS

QJ3175000

PubChem CID

9386

Molecular Weight

462.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• External Descriptors: fluorocarbon

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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Refractive Index: 1.31
• Flash Point(°F): >212 °F
• Flash Point(°C): >100 °C
• Boil Point(°C): 141-142°C
• Melt Point(°C): -10~-7°C
• Molecular Weight: 462.080 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 461.971 Da
• Monoisotopic Mass: 461.971 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 587.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% 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 ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 306-94-5, the molecular formula is C10F18, and the molecular weight is 462.08 g/mol. InChIKey UWEYRJFJVCLAGH-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.