(±)-1,1′-Bi(2-naphthol) - ≥99% , CAS No.602-09-5

CAS: 602-09-5 Cat. No.: B114382 Molecular Weight: 286.32 Beilstein Registry Number: 997518 EC Number: 210-014-0

GRADE & PURITY ≥99%

Synonyms

(S)-BINOL | (+/-)-1,1'-Binaphthalene-2,2'-diol | 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol | (1r)-[1,1'-binaphthalene]-2,2'-diol | (S)-(-)-1,1'-Bi(2-naphthol) | [1,1']Binaphthalenyl-2,2'-diol | AI3-19388 | Binol (R)-(+)-form [MI] | (R)-(+)-1,1'-Bi(2-nap

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-BINOL | (+/-)-1, 1'-Binaphthalene-2, 2'-diol | 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol | (1r)-[1, 1'-binaphthalene]-2, 2'-diol | (S)-(-)-1, 1'-Bi(2-naphthol) | [1, 1']Binaphthalenyl-2, 2'-diol | AI3-19388 | Binol (R)-(+)-form [MI] | (R)-(+)-1, 1'-Bi(2-nap

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
• IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• InChIKey: PPTXVXKCQZKFBN-UHFFFAOYSA-N
• INCHI: 1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
• WGK Germany: 3
• RTECS: DU3106000
• Molecular Weight: 286.32
• Beilstein: 997518
• Reaxy-Rn: 997518
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=997518&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 Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in dioxane (50 mg/mL). Insoluble in water.Solubility in Methanol
• Melt Point(°C): 220°C
• Molecular Weight: 286.300 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.099 Da
• Monoisotopic Mass: 286.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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. Wen-Rong Cai, Wen-Kai Zhu, Bao-Zhu Yang, Da-Tong Wu, Jun-Yao Li, Zheng-Zhi Yin, Yong Kong.  (2022)  Porphyrin-Based Metal–Organic Frameworks for Efficient Electrochemiluminescent Chiral Recognition of Tyrosine Enantiomers.  Chemosensors,  10  (12): (519).  [PMID:] [10.3390/chemosensors10120519]

2. Huimin Duan, Jinbiao Zhao, Shuli Li, Dongming Qi, Jiawei Li.  (2024)  Flexible Anti-Counterfeiting Circularly Polarized Luminescent Elastomer from Supramolecular Polyurethanes.  Advanced Optical Materials,  12  (20): (2400379).  [PMID:] [10.1002/adom.202400379]