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trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl - ≥98% , CAS No.137644-54-3

trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl - ≥98% , CAS No.137644-54-3

Name: trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl - ≥98% , CAS No.137644-54-3
Brand: Aladdin Scientific
SKU: T161958
Availability: InStock

CAS: 137644-54-3 Cat. No.: T161958 Molecular Weight: 366.51 EC Number: 604-031-6 PubChem CID: 14984829

COA

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trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl - ≥98% CAS No(137644-54-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Room temperature

Shipped In

Normal

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 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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	504767745
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767745
Canonical Smiles	CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
IUPAC Name	1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
InChIKey	TXHFUCYJBLLNIG-UHFFFAOYSA-N
INCHI	1S/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
Isomeric SMILES	CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
PubChem CID	14984829
Molecular Weight	366.51
Reaxy-Rn	7219805

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.

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📊 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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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:

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

1 results found

Lot Number	Certificate Type	Date	Item
F1807122	Certificate of Analysis	Jan 27, 2026	T161958

Chemical and Physical Properties

Solubility	Soluble in Toluene
Melt Point(°C)	87 °C
Molecular Weight	366.500 g/mol
XLogP3	9.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	366.253 Da
Monoisotopic Mass	366.253 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	384.000
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

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Reviews

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