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1,1'-Bicyclohexyl, 4-pentyl-4'-[4-(trifluoromethoxy)phenyl]- - ≥98% , CAS No.133914-49-5

1,1'-Bicyclohexyl, 4-pentyl-4'-[4-(trifluoromethoxy)phenyl]- - ≥98% , CAS No.133914-49-5

Name: 1,1'-Bicyclohexyl, 4-pentyl-4'-[4-(trifluoromethoxy)phenyl]- - ≥98% , CAS No.133914-49-5
Brand: Aladdin Scientific
SKU: B1015711
Availability: InStock

CAS: 133914-49-5 Cat. No.: B1015711 Molecular Weight: 396.5 EC Number: 603-778-5 PubChem CID: 604780

COA

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1,1'-Bicyclohexyl, 4-pentyl-4'-[4-(trifluoromethoxy)phenyl]- - ≥98% CAS No(133914-49-5) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

Canonical Smiles	CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
IUPAC Name	1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
InChIKey	CEYKVAXXLKVHOH-UHFFFAOYSA-N
INCHI	1S/C24H35F3O/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3
Isomeric SMILES	CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
PubChem CID	604780
Molecular Weight	396.5

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	396.500 g/mol
XLogP3	10.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	396.264 Da
Monoisotopic Mass	396.264 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	426.000
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

Solution Calculators

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Reviews

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