Cas no 992-04-1 (Hexaphenylbenzene)

Hexaphenylbenzene is a polyaromatic hydrocarbon with a rigid, star-shaped structure formed by six phenyl groups bonded to a central benzene ring. Its high symmetry and extended π-conjugation system make it valuable in organic electronics, supramolecular chemistry, and materials science. The compound exhibits excellent thermal stability and serves as a precursor for synthesizing graphene-like nanostructures or porous organic frameworks. Its steric bulk and electron-rich properties facilitate applications in host-guest chemistry and as a building block for luminescent materials. Hexaphenylbenzene's crystallinity and defined geometry also enable precise molecular design in advanced polymeric and coordination systems.
Hexaphenylbenzene structure
Hexaphenylbenzene structure
Product Name:Hexaphenylbenzene
CAS No:992-04-1
MF:C42H30
MW:534.687611103058
MDL:MFCD00003057
CID:83268
PubChem ID:253659977
Update Time:2025-10-28

Hexaphenylbenzene Chemical and Physical Properties

Names and Identifiers

    • hexaphenylbenzene
    • 1,2,3,4,5,6-hexakis-phenylbenzene
    • Hexaphenylbenzene 1GR
    • Hexaphenylbenzene 5GR
    • Benzene, hexaphenyl-
    • 3',4',5',6'-Tetraphenyl-o-terphenyl
    • QBHWPVJPWQGYDS-UHFFFAOYSA-N
    • NSC220313
    • C42H30
    • Hexaphenylbenzene, 98%
    • m-Terphenyl, 2',4',5',6'-tetraphenyl-
    • ghl.PD_Mitscher_leg0.890
    • 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl-
    • m-Terphenyl,4',5',6'-tetraphenyl-
    • LS40839
    • 1,1''-Terphenyl, 3',4',5',6'-tetraphenyl-
    • Q3270405
    • 1,1':2',1''-
    • CS-0314378
    • 1,1':2',1''-terphenyl, 3',4',5',6'-tetraphenyl- (en)
    • 992-04-1
    • FT-0627037
    • H1412
    • T73114
    • YSZC309
    • 3',4',5',6'-tetraphenyl-1,1':2',1''-terphenyl
    • MFCD00003057
    • 1,2,3,4,5,6-Hexaphenylbenzene
    • NSC 220313
    • DTXSID30243983
    • NS00042557
    • UNII-35L5JAJ94N
    • BS-49309
    • 35L5JAJ94N
    • EINECS 213-591-7
    • AKOS004909040
    • NSC-220313
    • 1,1':2',1''-Terphenyl,3',4',5',6'-tetraphenyl-
    • A905819
    • DTXCID60166474
    • Hexaphenylbenzene
    • MDL: MFCD00003057
    • 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
    • InChI Key: QBHWPVJPWQGYDS-UHFFFAOYSA-N
    • SMILES: C1(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=1C1C=CC=CC=1
    • BRN: 1895903

Computed Properties

  • Exact Mass: 534.23500
  • Monoisotopic Mass: 534.235
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 579
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 11.7

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.8530 (rough estimate)
  • Melting Point: 455°C(lit.)
  • Boiling Point: 547.47°C (rough estimate)
  • Flash Point: 284 °C
  • Refractive Index: 1.4690 (estimate)
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 0.00000
  • LogP: 11.68860
  • Solubility: Not determined

Hexaphenylbenzene Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S22-S24/25

Hexaphenylbenzene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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Hexaphenylbenzene Production Method

Hexaphenylbenzene Suppliers

Amadis Chemical Company Limited
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(CAS:992-04-1)Hexaphenylbenzene
Order Number:A905819
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:21
Price ($):158.0/552.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:992-04-1)Hexaphenylbenzene
Order Number:sfd18962
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally

Additional information on Hexaphenylbenzene

Hexaphenylbenzene (CAS No. 992-04-1): A Comprehensive Overview

Hexaphenylbenzene, a compound with the chemical formula C42H26, is identified by its unique CAS number 992-04-1. This polycyclic aromatic hydrocarbon (PAH) has garnered significant attention in the scientific community due to its intriguing structural properties and potential applications in various fields, including materials science, organic synthesis, and pharmaceutical research. The compound's hexagonal arrangement of benzene rings, each substituted with phenyl groups, contributes to its distinct chemical behavior and reactivity.

The molecular structure of Hexaphenylbenzene consists of a central benzene ring surrounded by six peripheral benzene rings, each attached at the ortho positions. This highly symmetric structure imparts unique electronic and steric properties, making it a valuable candidate for studying molecular interactions and designing advanced materials. The compound's high symmetry also allows for precise control over its electronic properties, which is particularly relevant in the development of organic semiconductors and optoelectronic devices.

In recent years, research on Hexaphenylbenzene has expanded significantly, with studies focusing on its role as a building block in supramolecular chemistry. The compound's ability to form stable complexes with various guest molecules has been exploited in the design of molecular machines and switches. These applications leverage the compound's rigid framework and tunable electronic properties, enabling precise control over molecular recognition and function.

One of the most exciting areas of research involving Hexaphenylbenzene is its application in organic electronics. The compound's extended π-conjugation system makes it an excellent candidate for use in organic field-effect transistors (OFETs) and organic light-emitting diodes (OLEDs). Recent studies have demonstrated that thin films of Hexaphenylbenzene exhibit high charge carrier mobility, making them promising candidates for next-generation electronic devices. Additionally, the compound's stability under various environmental conditions enhances its suitability for practical applications.

The pharmaceutical industry has also shown interest in Hexaphenylbenzene due to its potential as a scaffold for drug discovery. The compound's complex structure provides multiple sites for functionalization, allowing researchers to design derivatives with specific biological activities. Preliminary studies have suggested that certain derivatives of Hexaphenylbenzene may exhibit anti-inflammatory and antioxidant properties, although further research is needed to fully understand their therapeutic potential.

The synthesis of Hexaphenylbenzene is another area where significant progress has been made. Traditional synthetic routes often involve multi-step processes that can be challenging to optimize. However, recent advances in synthetic methodologies have enabled more efficient and scalable production methods. These improvements have not only increased the availability of Hexaphenylbenzene but also opened up new possibilities for its application in various scientific fields.

The environmental impact of Hexaphenylbenzene is also a topic of interest. As a PAH, the compound is known to be relatively stable and resistant to degradation. While this stability makes it useful in many applications, it also raises questions about its long-term environmental persistence. Research is ongoing to assess the biodegradability and ecological toxicity of Hexaphenylbenzene, ensuring that its use does not pose significant environmental risks.

In conclusion, Hexaphenylbenzene (CAS No. 992-04-1) is a versatile compound with a wide range of potential applications. Its unique structural properties make it an attractive candidate for use in materials science, organic synthesis, and pharmaceutical research. As our understanding of this compound continues to grow, new opportunities for its application are likely to emerge, further solidifying its importance in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:992-04-1)Hexaphenylbenzene
A905819
Purity:99%/99%
Quantity:5g/25g
Price ($):158.0/552.0
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Suzhou Senfeida Chemical Co., Ltd
(CAS:992-04-1)Hexaphenylbenzene
sfd18962
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email