Hexaphenylbenzene - ≥97% , CAS No.992-04-1

CAS: 992-04-1 Cat. No.: H339663 分子式: C₄₂H₃₀ 分子量: 534.7

GRADE & PURITY ≥97%

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'

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

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'

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488184540
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184540
• カノニカル・スマイル: 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
• IUPAC Name: 1,2,3,4,5,6-hexakis-phenylbenzene
• InChIKey: QBHWPVJPWQGYDS-UHFFFAOYSA-N
• 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
• 異性体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
• 分子量: 534.7
• Reaxy-Rn: 1895903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1895903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

Data sources

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

化学的性質と物理的性質

• 融点（°C）: 455°C(lit.)
• 分子量: 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 Ų
• 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

参考文献

1. Jiajie Shi, Yang Liu, Yongsheng Chen, Zhenggong Wang, Jian Jin.  (2026)  Fluorinated Covalent Organic Framework Membranes for High-Flux Nonpolar Organic Solvent Nanofiltration.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202523813]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 992-04-1, the molecular formula is C42H30, and the molecular weight is 534.7 g/mol. InChIKey QBHWPVJPWQGYDS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.