2-Naphthoic acid - ≥98% , CAS No.93-09-4

CAS: 93-09-4 Cat. No.: N434592 Peso molecular: 172.18 Beilstein Registry Number: 972039 Número EC: 202-217-8

GRADE & PURITY ≥98%

Synonyms

2-naphthalene carboxylic acid | D77680 | Naphthalene-beta-carboxylic acid | 2-Naphthoic acid, >=97.0% (GC) | 2-naphthylcarboxylic acid | BRN 0972039 | EINECS 202-217-8 | 2-Naphthalenecarboxylic acid | 4-09-00-02414 (Beilstein Handbook Reference) | QLG01V0

Storage

Room temperature

Descripción general

2-Naphthoic acid (NPA) is a noncompetitive N -methyl- D -aspartate (NMDA) receptor inhibitor. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

Specifications

Sinónimos

2-naphthalene carboxylic acid | D77680 | Naphthalene-beta-carboxylic acid | 2-Naphthoic acid, >=97.0% (GC) | 2-naphthylcarboxylic acid | BRN 0972039 | EINECS 202-217-8 | 2-Naphthalenecarboxylic acid | 4-09-00-02414 (Beilstein Handbook Reference) | QLG01V0

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)C(=O)O
• IUPAC Name: naphthalene-2-carboxylic acid
• InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
• INCHI: 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)O
• WGK Alemania: 2
• RTECS: QL1050000
• CAS alternativo: 93-09-4
• Peso molecular: 172.18
• Beilstein: 972039
• Reaxy-Rn: 972039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972039&ln=

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: Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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: naphthoic acid

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

Objetivos asociados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meloidogyne incognita (862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

norA Quinolone resistance protein norA (2171 Activities)

Discover Target: norA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: alcohol: soluble; diethyl ether: soluble; hot water: slightly soluble
• Punto de inflamación (°F): 401°F
• Punto de inflamación (°C): 205℃
• Punto de fusión (°C): 185-187 °C
• Peso molecular: 172.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.052 Da
• Monoisotopic Mass: 172.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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

Referencias

1. Hongwei Ren, Yize Liu, Ruoyao Zhang, Yi Zheng, Tengda Zhao, Jing Han, Chunmao Chen, Erhong Duan.  (2023)  Near-infrared carbon quantum dots from PEG-based deep eutectic solvents for high-accuracy quantitative analysis of naphthenic acids in wastewater.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109988]