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1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene - 97%, high purity , CAS No.372956-40-6

COA

Grade & Purity:

≥97%

Cas Number: 372956-40-6
Molecular Weight: 588.67
PubChem CID: 11467407
PubChem SID: 504766455

In stock

Item Number

T162489

Grouped product items
SKU	Size	Availability	Price
T162489-100mg	100mg	7	$147.90
T162489-250mg	250mg	4	$220.90
T162489-1g	1g	2	$790.90

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hole transport materials (42)

Basic Description

Synonyms	4,4''''-Difluoro-5''-(4'-fluoro-[1,1'-biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	P-terphenyls Biphenyls and derivatives Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Terphenyl - Para-terphenyl - Biphenyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - 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 linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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

Names and Identifiers

Pubchem Sid	504766455
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766455
IUPAC Name	1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
INCHI	InChI=1S/C42H27F3/c43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33/h1-27H
InChIKey	KMIGKTQTBLIAJV-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F
PubChem CID	11467407
Molecular Weight	588.67

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2315549	Certificate of Analysis	May 19, 2023	T162489
F2315545	Certificate of Analysis	May 19, 2023	T162489
F2315546	Certificate of Analysis	May 19, 2023	T162489
F2315556	Certificate of Analysis	May 19, 2023	T162489
F2315554	Certificate of Analysis	May 19, 2023	T162489
F2316895	Certificate of Analysis	May 19, 2023	T162489

Chemical and Physical Properties

Melt Point(°C)	230°C(lit.)
Molecular Weight	588.700 g/mol
XLogP3	12.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	588.206 Da
Monoisotopic Mass	588.206 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	730.000
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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