(R)-3,3'-Diiodo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene - ≥98% , CAS No.189518-78-3

CAS: 189518-78-3 Cat. No.: R300089 Molecular Weight: 626.2 PubChem CID: 10794017

GRADE & PURITY ≥98%

Synonyms

(S)-2,2'-Bis(methoxymethoxy)-3,3'-diiodo-1,1'-binaphthyl | D74615 | AKOS022184768 | 1,1'-Binaphthalene, 3,3'-diiodo-2,2'-bis(methoxymethoxy)-, (1R)- | 3,3'-DIIODO-2,2'-BIS(METHOXYMETHOXY)-1,1'-BINAPHTHALENE | (S)-3,3'-Diiodo-2,2'-bis(methoxymethoxy)-1,1'-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-2, 2'-Bis(methoxymethoxy)-3, 3'-diiodo-1, 1'-binaphthyl | D74615 | AKOS022184768 | 1, 1'-Binaphthalene, 3, 3'-diiodo-2, 2'-bis(methoxymethoxy)-, (1R)- | 3, 3'-DIIODO-2, 2'-BIS(METHOXYMETHOXY)-1, 1'-BINAPHTHALENE | (S)-3, 3'-Diiodo-2, 2'-bis(methoxymethoxy)-1, 1'-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196824
• Canonical Smiles: COCOC1=C(C2=CC=CC=C2C=C1I)C3=C(C(=CC4=CC=CC=C43)I)OCOC
• IUPAC Name: 3-iodo-1-[3-iodo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• InChIKey: HVIYMUMYPJXEAR-UHFFFAOYSA-N
• INCHI: 1S/C24H20I2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3
• Isomeric SMILES: COCOC1=C(C2=CC=CC=C2C=C1I)C3=C(C(=CC4=CC=CC=C43)I)OCOC
• PubChem CID: 10794017
• Molecular Weight: 626.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl iodides Acetals Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl iodide - Aryl halide - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists 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

Chemical and Physical Properties

• Melt Point(°C): 127-128°C
• Molecular Weight: 626.200 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 625.945 Da
• Monoisotopic Mass: 625.945 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 489.000
• 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