(±)-6,6'-Dibromo-1,1'-bi-2-naphthol - ≥98%(HPLC) , CAS No.13185-00-7

CAS: 13185-00-7 Cat. No.: P160244 Molecular Weight: 444.12 EC Number: 624-066-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

6-bromo-1-(6-bromo-2-hydroxy-1-naphthyl)naphthalen-2-ol | D2779 | (S)-(+)-6,6/'-DIBROMO-1,1/'-BI-2-NAPHTHOL | D2730 | SCHEMBL993774 | BCP10042 | (S)-6,6'-DIBROMO-2,2'-DIHYDROXY-1,1'-BINAPHTHYL | A835047 | BCP10043 | F11529 | (S)-(+)-6,6'-DIBROMO-1,1'-BI-N

Storage

Room temperature

Shipped In

Normal

Overview

6,6′-Dibromo-1,1′-bi-2-naphthol is a 1,1′-bi-2-naphthol derivative. Vibrational circular dichroism (VCD), electronic circular dichroism (ECD) and optical rotatory dispersion (ORD) spectra for the enantiomers of 6,6′-dibromo-1,1′-bi-2-naphthol have been evaluated.

Specifications

Synonyms

6-bromo-1-(6-bromo-2-hydroxy-1-naphthyl)naphthalen-2-ol | D2779 | (S)-(+)-6, 6/'-DIBROMO-1, 1/'-BI-2-NAPHTHOL | D2730 | SCHEMBL993774 | BCP10042 | (S)-6, 6'-DIBROMO-2, 2'-DIHYDROXY-1, 1'-BINAPHTHYL | A835047 | BCP10043 | F11529 | (S)-(+)-6, 6'-DIBROMO-1, 1'-BI-N

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504757919
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757919
• Canonical Smiles: C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br
• IUPAC Name: 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• InChIKey: OORIFUHRGQKYEV-UHFFFAOYSA-N
• INCHI: 1S/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H
• Isomeric SMILES: C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br
• WGK Germany: 3
• Molecular Weight: 444.12
• Reaxy-Rn: 2061036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061036&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 205 °C
• Molecular Weight: 444.100 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 443.918 Da
• Monoisotopic Mass: 441.92 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