[2.2]Paracyclophan - ≥99% , CAS No.1633-22-3

CAS: 1633-22-3 Cat. No.: P107412 Molecular Weight: 208.3 Beilstein Registry Number: 1910888 EC Number: 216-644-2

GRADE & PURITY ≥99%

Synonyms

PARYLENE DIMER | Tricyclo[8.2.2.2<4,7>]hexadeca-4,6,10,12,13,15-hexaene | (2,2)-PARACYCLOPHANE | Di-1,4-xylylene | Tricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaene | Di-p-xylylene | N-(Dimethylamino)succinamic acid | P1165 | 1-Bromo-4-EthYl-Benzene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PARYLENE DIMER | Tricyclo[8.2.2.2<4, 7>]hexadeca-4, 6, 10, 12, 13, 15-hexaene | (2, 2)-PARACYCLOPHANE | Di-1, 4-xylylene | Tricyclo(8.2.2.24, 7)hexadeca-1(12), 4, 6, 10, 13, 15-hexaene | Di-p-xylylene | N-(Dimethylamino)succinamic acid | P1165 | 1-Bromo-4-EthYl-Benzene

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504754783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754783
• Canonical Smiles: C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2
• IUPAC Name: tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
• InChIKey: OOLUVSIJOMLOCB-UHFFFAOYSA-N
• INCHI: 1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2
• Isomeric SMILES: C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2
• WGK Germany: 3
• Molecular Weight: 208.3
• Beilstein: 1910888
• Reaxy-Rn: 1910888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 285-288℃
• Molecular Weight: 208.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 208.125 Da
• Monoisotopic Mass: 208.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 156.000
• 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

References

1. Junren Xu, Jing Lu, Shanliang Fu, Na Li, Yiqiao Zhao, Kunbo Wang, Zhonghua Liu, Taolin Chen, Jianan Huang, Mingzhi Zhu.  (2025)  Simultaneous detection of amino acids and short-chain fatty acids in tea using rapid pre-column derivatization coupled with GC–MS: Exploring their spatial distribution in tea trees and the impact of processing techniques on their content.  FOOD CHEMISTRY,      [PMID:40117814] [10.1016/j.foodchem.2025.143800]