6-Hydroxy-2-naphthoic acid - ≥98% , CAS No.16712-64-4

CAS: 16712-64-4 Cat. No.: H102798 Peso molecular: 188.18 Beilstein Registry Number: 2692080 Número EC: 240-759-7

GRADE & PURITY ≥98%

Synonyms

6-Hydroxy-2-naphthoic acid, 98% | NCGC00248815-01 | 5-NAPHTHOL-1-CARBOXYLIC ACID | FS-1340 | 2-Naphthol-6-carboxylic Acid | 6-Hydroxy-2-napthoic acid | 6-hydroxynaphthalene-2-carboxylic acid | Q27266105 | 6-Hydroxy-beta-naphthoic acid | EINECS 240-759-7 |

Storage

Room temperature

Shipped In

Normal

Descripción general

6-Hydroxy-2-naphthoic acid may be used in the synthesis of 5-bromo-6-hydroxy-2-naphthoic acid and liquid-crystalline epoxy resins. 6-Hydroxy-2-naphthoic acid is a hydroxynaphthoic acid derivative. Whole cells of the recombinant Escherichia coli strain expressing CYP199A2 were reported to catalyze the regioselective oxidation of 6-hydroxy-2-naphthoic acid to afford 6,7-dihydroxynaphthoic acid. It can form co-crystals with caffeine.
6-Hydroxy-2-naphthoic acid may be used in the synthesis of 5-bromo-6-hydroxy-2-naphthoic acid and liquid-crystalline epoxy resins.

Specifications

Sinónimos

6-Hydroxy-2-naphthoic acid, 98% | NCGC00248815-01 | 5-NAPHTHOL-1-CARBOXYLIC ACID | FS-1340 | 2-Naphthol-6-carboxylic Acid | 6-Hydroxy-2-napthoic acid | 6-hydroxynaphthalene-2-carboxylic acid | Q27266105 | 6-Hydroxy-beta-naphthoic acid | EINECS 240-759-7 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186332
• Sonrisas canónicas: C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O
• IUPAC Name: 6-hydroxynaphthalene-2-carboxylic acid
• InChIKey: KAUQJMHLAFIZDU-UHFFFAOYSA-N
• INCHI: 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
• Isómeros SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O
• WGK Alemania: 3
• RTECS: QN3722500
• Peso molecular: 188.18
• Beilstein: 2692080
• Reaxy-Rn: 2692084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692084&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: Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - 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: 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

Objetivos asociados (humanos)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

Objetivos asociados (no humanos)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in methanol
• Punto de fusión (°C): 240-250°C
• Peso molecular: 188.180 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.047 Da
• Monoisotopic Mass: 188.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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. Yanfu Tang, Li Yuan, Guozheng Liang, Aijuan Gu.  (2020)  Reprocessable Triple-Shape-Memory Liquid Crystalline Polyester Amide with Ultrahigh Thermal Resistance.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c02045]

2. Yanfu Tang, Li Yuan, Guozheng Liang, Aijuan Gu.  (2019)  Facile strategy and mechanism of preparing high performance intrinsic flame retarding foams based on reactive end-capped liquid crystalline all-aromatic polyester without incorporating additional flame retardants.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2019.107554]

3. Zhenjie Ding, Li Yuan, Ting Huang, Guozheng Liang, Aijuan Gu.  (2019)  High-Temperature Triple-Shape Memory Polymer with Full Recovery through Cross-Linking All-Aromatic Liquid Crystalline Poly(ester imide) under Reduced Molding Temperature.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b00662]

4. Yue Gong, Teng Fu, Xiu-Li Wang, Yu-Zhong Wang.  (2024)  Aromatic copolyesters with tunable dielectric and thermal properties enabled by aryl building blocks.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127399]

5. Hong Chen, Zhibo Huang, Qingyan Fan, Jinbao Guo.  (2025)  Bisphenol-Modified Ternary Liquid Crystal Polyarylates with Low Dielectric Loss at High Frequencies.  MACROMOLECULAR CHEMISTRY AND PHYSICS,      [PMID:] [10.1002/macp.202400462]

6. Xiaoxiao Liang, Shiyuan Liu, Zebin Li, Yuehua Deng, Yanbin Jiang, Huaiyu Yang.  (2024)  Efficient cocrystal coformer screening based on a Machine learning Strategy: A case study for the preparation of imatinib cocrystal with enhanced physicochemical properties.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38309538] [10.1016/j.ejpb.2024.114201]

7. Boyang Jia, Tingting Hao, Yanai Chen, Yawen Deng, Xingzhong Qi, Chengyan Zhou, Yanfang Liu, Shuai Guo, Jianglei Qin.  (2024)  Mussel-inspired tissue adhesive composite hydrogel with photothermal and antioxidant properties prepared from pectin for burn wound healing.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38761908] [10.1016/j.ijbiomac.2024.132436]

8. Yao Yan, Zuanxin Yang, Songming Chen, Rong Yang.  (2025)  Enhancing flame retardancy and mechanical performance of polycarbonate with cinnamate-containing liquid crystalline copolyester.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111675]

9. Chuanren Zhu, Zhefu Wu, Zhimei Wei, Jiacao Yang, Xiaojun Wang, Jie Yang.  (2025)  Structure and properties of low dielectric loss liquid crystal polyarylates.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129093]