6-Cyano-2-naphthol - ≥97% , CAS No.52927-22-7

CAS: 52927-22-7 Cat. No.: C134998 Formula: C₁₁H₇NO Peso molecolare: 169.18 Beilstein Registry Number: 10(3)1099 Numero EC: 628-663-7

QUALITÀ & PUREZZA ≥97%

Synonyms

2-hydroxy-6-cyanonaphthalene | H0995 | A7718 | SY021503 | 2-Cyano-6-naphthol | 2-Naphthalenecarbonitrile, 6-hydroxy- | FT-0621097 | 6-Cyano-2-naphthol | AM87038 | EN300-1615122 | SCHEMBL1028464 | 6-hydroxy-2-naphthalenecarbonitrile | AC-6788 | AKOS0158361

Storage

Room temperature

Shipped In

Normal

Panoramica

6-Cyano-2-naphthol (6CN2) is an aromatic alcohol that can be synthesized from 6-bromo-2-naphthol.It is a superphotoacid with the ground state pKa* value of 8.4 and excited state pKavalue of 0.2, respectively. 6CN2 protonates PANI-ES (polyaniline emeraldine salt) to form PANI-EB (emeraldine base), which shows enhanced conductivity.The proton-transfer kinetics and photophysical behavior of 6CN2 have been investigated.
An intermediate of Nafamostat mesilate.

Specifiche

Sinonimi

2-hydroxy-6-cyanonaphthalene | H0995 | A7718 | SY021503 | 2-Cyano-6-naphthol | 2-Naphthalenecarbonitrile, 6-hydroxy- | FT-0621097 | 6-Cyano-2-naphthol | AM87038 | EN300-1615122 | SCHEMBL1028464 | 6-hydroxy-2-naphthalenecarbonitrile | AC-6788 | AKOS0158361

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488194917

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194917

Sorrisi canonici

C1=CC2=C(C=CC(=C2)O)C=C1C#N

IUPAC Name

6-hydroxynaphthalene-2-carbonitrile

InChIKey

WKTNIBWKHNIPQR-UHFFFAOYSA-N

INCHI

1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H

Isomeri SMILES

C1=CC2=C(C=CC(=C2)O)C=C1C#N

WGK Germania

3

Peso molecolare

169.18

Beilstein

10(3)1099

Reaxy-Rn

2208403

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208403&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Chloroform, Ethanol and Ethyl Acetate
• Punto di fusione (°C): 166-171°C
• Peso molecolare: 169.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.053 Da
• Monoisotopic Mass: 169.053 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52927-22-7, the molecular formula is C11H7NO, and the molecular weight is 169.18 g/mol. InChIKey WKTNIBWKHNIPQR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.