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

CAS: 992-04-1 Cat. No.: H339663 Fórmula: C₄₂H₃₀ Peso molecular: 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

Sinónimos

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'

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488184540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184540
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
• Peso molecular: 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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 455°C(lit.)
• Peso molecular: 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

Referências

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]

Perguntas frequentes

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.