Perfluoro-1,3-dimethylcyclohexane - ≥80% , CAS No.335-27-3

CAS: 335-27-3 Cat. No.: P169665 Molecular Weight: 400.06 EC Number: 206-386-9 PubChem CID: 78975
AVAILABLE TO ORDER
GRADE & PURITY ≥80%
Synonyms
Decafluoro-1,3-bis(trifluoromethyl)cyclohexane | Perfluoro(1,3-dimethylcyclohexane) | 1,1,2,2,3,3,4,5,5,6-Decafluoro-4,6-bis(trifluoromethyl)cyclohexane | 335-27-3
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
P169665-5g
4
$29.90
25g
P169665-25g
4
$99.90
100g
P169665-100g
2
$315.90
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Why this grade

≥80% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Decafluoro-1, 3-bis(trifluoromethyl)cyclohexane | Perfluoro(1, 3-dimethylcyclohexane) | 1, 1, 2, 2, 3, 3, 4, 5, 5, 6-Decafluoro-4, 6-bis(trifluoromethyl)cyclohexane | 335-27-3
Specifications & Purity
≥80%
Storage
Room temperature
Shipped In
Normal
Purity
≥80%
Names and Identifiers
Pubchem Sid488185654
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185654
Canonical SmilesC1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
IUPAC Name1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane
InChIKeyLOQGSOTUHASIHI-UHFFFAOYSA-N
INCHI1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14
Isomeric SMILES C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
WGK Germany 3
PubChem CID 78975
Molecular Weight 400.06

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClassAlkyl halides
SubclassCyclohexyl halides
Intermediate Tree Nodes Not available
Direct ParentCyclohexyl halides
Alternative Parents Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclohexyl halide - Hydrocarbon derivative - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
H2402427Certificate of AnalysisJul 25, 2024 P169665
G2307508Certificate of AnalysisApr 23, 2023 P169665
G2307512Certificate of AnalysisApr 23, 2023 P169665
G2307515Certificate of AnalysisApr 23, 2023 P169665
G2307517Certificate of AnalysisApr 23, 2023 P169665
G2307555Certificate of AnalysisApr 23, 2023 P169665
G2307650Certificate of AnalysisApr 23, 2023 P169665
C2214128Certificate of AnalysisFeb 22, 2022 P169665
Chemical and Physical Properties
Refractive Index1.2908
Boil Point(°C)101-102 °C
Melt Point(°C)-55°C
Molecular Weight400.060 g/mol
XLogP35.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count0
Exact Mass399.974 Da
Monoisotopic Mass399.974 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity479.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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