(R)-3,3'-Diiodo-[1,1'-binaphthalene]-2,2'-diol - ≥98%,≥99%(ee) , CAS No.287111-93-7

CAS: 287111-93-7 Cat. No.: R588577 Peso molecular: 538.1 PubChem CID: 10234247

GRADE & PURITY ≥98%,≥99%(ee)

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥98%, ≥99%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%, ≥99%(ee)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)I)O)O)I
• IUPAC Name: 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
• InChIKey: AGYZAQQARDBULW-UHFFFAOYSA-N
• INCHI: 1S/C20H12I2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)I)O)O)I
• PubChem CID: 10234247
• Peso molecular: 538.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: O-iodophenols Vinyl iodides Iodoalkenes Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 2-iodophenol - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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): 312-314°C
• Peso molecular: 538.100 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 537.893 Da
• Monoisotopic Mass: 537.893 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 405.000
• 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