Phenyl 3-hydroxy-2-naphthoate - ≥97% , CAS No.7260-11-9

CAS: 7260-11-9 Cat. No.: P331416 Fórmula: C₁₇H₁₂O₃ Peso molecular: 264.28 Número EC: 230-681-1 PubChem CID: 81680

GRADE & PURITY ≥97%

Synonyms

1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylicacid | BZP4PT5H9G | NSC 328440 | DTXSID7064609 | MFCD00004098 | SR-01000050477-1 | SRMZHGJLSDITLO-UHFFFAOYSA- | NSC328440 | NSC-328440 | phenyl-3-hydroxy-2-naphthoate | LS-07463 | 2-Naphthoic ac

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

Phenyl 3-hydroxy-2-naphthoate was used in the synthesis of a series of new azoic coupling components, derivatives of naphthol AS.

Specifications

Sinónimos

1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylicacid | BZP4PT5H9G | NSC 328440 | DTXSID7064609 | MFCD00004098 | SR-01000050477-1 | SRMZHGJLSDITLO-UHFFFAOYSA- | NSC328440 | NSC-328440 | phenyl-3-hydroxy-2-naphthoate | LS-07463 | 2-Naphthoic ac

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528759185

Sonrisas canónicas

C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O

IUPAC Name

phenyl 3-hydroxynaphthalene-2-carboxylate

InChIKey

SRMZHGJLSDITLO-UHFFFAOYSA-N

INCHI

1S/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H

Isómeros SMILES

C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O

PubChem CID

81680

Peso molecular

264.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives Phenol esters Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Salicylic acid or derivatives - Phenol ester - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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 ebullición (°C): 257-261 °C/160 mmHg (lit.)
• Punto de fusión (°C): 129-132 °C (lit.)
• Peso molecular: 264.270 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.079 Da
• Monoisotopic Mass: 264.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 335.000
• 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