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

CAS: 1092522-75-2 Cat. No.: C121258 Formula: C₇₂H₄₈ Peso molecolare: 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

Sinonimi

[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

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri 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 molecolare: 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
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Peso molecolare: 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

Domande frequenti

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.