1-Hydroxy-2-naphthoic acid - Moligand™, ≥98% , CAS No.86-48-6

CAS: 86-48-6 Cat. No.: H105446 Formula: C₁₁H₈O₃ Molecular Weight: 188.18 Beilstein Registry Number: 974438 EC Number: 201-674-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS001080081 | CHEBI:36108 | InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14 | 7-Naphthol-2-carboxaldehyde | CARBOXYNAPHTHOL | STL373496 | 1-hydroxy-2-naphthalene carboxylic acid | Q27104334 | A841684 | AC-13237 | NSC 3717 | EN30

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

1-Hydroxy-2-naphthoic acid is produced by the transformation of phenanthrene by NCIB 9816 clones.

Specifications

Synonyms

AKOS001080081 | CHEBI:36108 | InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14 | 7-Naphthol-2-carboxaldehyde | CARBOXYNAPHTHOL | STL373496 | 1-hydroxy-2-naphthalene carboxylic acid | Q27104334 | A841684 | AC-13237 | NSC 3717 | EN30

Specifications & Purity

Moligand™, ≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180173

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180173

Canonical Smiles

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

IUPAC Name

1-hydroxynaphthalene-2-carboxylic acid

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

INCHI

1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

WGK Germany

3

Molecular Weight

188.18

Beilstein

974438

Reaxy-Rn

974438

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=974438&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 1-naphthol - Salicylic acid or derivatives - Hydroxybenzoic acid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: 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: naphthols - hydroxy monocarboxylic acid - 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

Associated Targets(Human)

LDHA Tchem L-lactate dehydrogenase A chain (1573 Activities)

Discover Target: LDHA

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

LDHB Tchem L-lactate dehydrogenase B chain (463 Activities)

Discover Target: LDHB

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

Associated Targets(non-human)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Influenza A virus (11224 Activities)

Explore this target

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MDCK (10148 Activities)

Explore this target

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, ethanol, benzene, methanol, and water (partly).
• Flash Point(°F): 302 °F
• Flash Point(°C): 150 °C
• Melt Point(°C): 195-200°C
• Molecular Weight: 188.180 g/mol
• XLogP3: 2.600
• 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

Frequently Asked Questions

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

The CAS Number is 86-48-6, the molecular formula is C11H8O3, and the molecular weight is 188.18 g/mol. InChIKey SJJCQDRGABAVBB-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.