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Hexaphenylbenzene - 97%, high purity , CAS No.992-04-1

COA

Grade & Purity:

≥97%

Cas Number: 992-04-1
Molecular Weight: 534.7
PubChem CID: 70432
PubChem SID: 488184540

In stock

Item Number

H339663

Grouped product items
SKU	Size	Availability	Price
H339663-250mg	250mg	3	$21.90
H339663-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$66.90
H339663-5g	5g	3	$299.90

an aromatic compound

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	Acetyl Rose 6BL \| T73114 \| YSZC309 \| 3',4',5',6'-tetraphenyl-1,1':2',1''-terphenyl \| m-Terphenyl,4',5',6'-tetraphenyl- \| NSC 220313 \| Copper Blue G \| MFCD00003057 \| ghl.PD_Mitscher_leg0.890 \| 1,2,3,4,5,6-hexakis-phenylbenzene \| Benzene, hexaphenyl- \| 1,1'
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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	488184540
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184540
IUPAC Name	1,2,3,4,5,6-hexakis-phenylbenzene
INCHI	InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
InChIKey	QBHWPVJPWQGYDS-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Isomeric SMILES	C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Molecular Weight	534.7
Reaxy-Rn	1895903
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1895903&ln=

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.

3 results found

Lot Number	Certificate Type	Date	Item
F2204796	Certificate of Analysis	Mar 04, 2025	H339663
F2204795	Certificate of Analysis	Mar 04, 2025	H339663
F2204797	Certificate of Analysis	Mar 04, 2025	H339663

Chemical and Physical Properties

Melt Point(°C)	455°C(lit.)
Molecular Weight	534.700 g/mol
XLogP3	11.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	534.235 Da
Monoisotopic Mass	534.235 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	579.000
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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