[12]Cycloparaphenylene - ≥90% , CAS No.1092522-75-2

CAS: 1092522-75-2 Cat. No.: C121258 Fórmula: C₇₂H₄₈ Peso molecular: 913.18

GRADE & PURITY ≥90%

Synonyms

[12]CPP | D89517 | AAFTYBVDGIFJMP-UHFFFAOYSA-N | C2449 | tridecacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45]doheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,6

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

[12]CPP | D89517 | AAFTYBVDGIFJMP-UHFFFAOYSA-N | C2449 | tridecacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45]doheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,6

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

Sonrisas canónicas

C1=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C2C=C1

IUPAC Name

tridecacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45]doheptaconta-1(48),2(72),3,5(71),6(70),7,9(69),10(68),11,13(67),14(66),15,17(65),18(64),19,21(63),22(62),23,25(61),26,28,30,32,34,36,38,40,42,44,46,49,51,53,55,57,59-hexatriacontaene

InChIKey

AAFTYBVDGIFJMP-UHFFFAOYSA-N

INCHI

1S/C72H48/c1-2-50-4-3-49(1)51-5-7-53(8-6-51)55-13-15-57(16-14-55)59-21-23-61(24-22-59)63-29-31-65(32-30-63)67-37-39-69(40-38-67)71-45-47-72(48-46-71)70-43-41-68(42-44-70)66-35-33-64(34-36-66)62-27-25-60(26-28-62)58-19-17-56(18-20-58)54-11-9-52(50)10-12-54/h1-48H

Isómeros SMILES

C1=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C2C=C1

Peso molecular

913.18

Reaxy-Rn

19156938

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19156938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenoid - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 913.100 g/mol
• XLogP3: 19.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 912.376 Da
• Monoisotopic Mass: 912.376 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 72
• Formal Charge: 0
• Complexity: 1010.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% 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 1092522-75-2, the molecular formula is C72H48, and the molecular weight is 913.18 g/mol. InChIKey AAFTYBVDGIFJMP-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.