Dinaphtho[2,1-b:1',2'-d]furan - ≥98% , CAS No.194-63-8

CAS: 194-63-8 Cat. No.: D404276 Peso molecular: 268.32

GRADE & PURITY ≥98%

Synonyms

.BETA.-DINAPHTHYLENE OXIDE | A930186 | 1,1'-Binaphthylene 2,2'-oxide | D5565 | Dinaphtho(2,1-b:1',2'-d)furan | SY237626 | UNII-YA5EYQ6A72 | YA5EYQ6A72 | 12-oxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{16,21}]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene |

Storage

Room temperature

Descripción general

Maximum Absorption Wavelength:356(CH2Cl2)nm

Specifications

Sinónimos

.BETA.-DINAPHTHYLENE OXIDE | A930186 | 1, 1'-Binaphthylene 2, 2'-oxide | D5565 | Dinaphtho(2, 1-b:1', 2'-d)furan | SY237626 | UNII-YA5EYQ6A72 | YA5EYQ6A72 | 12-oxapentacyclo[11.8.0.0^{2, 11}.0^{3, 8}.0^{16, 21}]henicosa-1(13), 2(11), 3, 5, 7, 9, 14, 16, 18, 20-decaene |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189600
• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC5=CC=CC=C54
• IUPAC Name: 12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• InChIKey: QIMOZEUDRUTIBS-UHFFFAOYSA-N
• INCHI: 1S/C20H12O/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12H
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC5=CC=CC=C54
• Peso molecular: 268.32
• Reaxy-Rn: 19170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Naphthofurans
      • Subclass Dinaphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Naphthofurans
• Subclass: Dinaphthofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinaphthofurans
• Alternative Parents: Dibenzofurans Naphthalenes Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dinaphthofuran - Dibenzofuran - Naphthalene - Benzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dinaphthofurans. These are organic aromatic compounds that contain two naphthalene moieties fused to each other through a furan ring. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused 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

• Punto de fusión (°C): 159 °C
• Peso molecular: 268.300 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 268.089 Da
• Monoisotopic Mass: 268.089 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 355.000
• 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