2,5-Dihydroxybenzoic acid - ≥98% , CAS No.490-79-9

CAS: 490-79-9 Cat. No.: D104393 Formule: C₇H₆O₄ Poids moléculaire: 154.12 Beilstein Registry Number: 10(4)1441 Numéro CE: 207-718-5

GRADE & PURITY ≥98%

Synonyms

Spectrum5_000581 | 4-10-00-01441 (Beilstein Handbook Reference) | Benzoic acid, 2,5-dihydroxy- | Casate sodium | Hydroquinonecarboxylic acid | Gentinatre | gentisic acid | SPBio_000846 | DivK1c_000538 | Gentisinic acid | GENTISATE SODIUM | GENTISIC ACID [

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

2,5-Dihydroxybenzoic acid was used as a matrix in the MALDI time-of-flight mass spectrometry analysis of the poly(styrene-co-pentafluorostyrene) copolymers.

Specifications

Synonymes

Spectrum5_000581 | 4-10-00-01441 (Beilstein Handbook Reference) | Benzoic acid, 2,5-dihydroxy- | Casate sodium | Hydroquinonecarboxylic acid | Gentinatre | gentisic acid | SPBio_000846 | DivK1c_000538 | Gentisinic acid | GENTISATE SODIUM | GENTISIC ACID [

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488179771

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179771

Sourires canoniques

C1=CC(=C(C=C1O)C(=O)O)O

IUPAC Name

2,5-dihydroxybenzoic acid

InChIKey

WXTMDXOMEHJXQO-UHFFFAOYSA-N

INCHI

1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)

Isomères SMILES

C1=CC(=C(C=C1O)C(=O)O)O

WGK Allemagne

3

RTECS

LY3850000

Poids moléculaire

154.12

Beilstein

10(4)1441

Reaxy-Rn

2209119

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Salicylic acids Benzoic acids Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dihydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: dihydroxybenzoic 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Ether,Alcohol; Insoluble in Benzene,Chloroform
• Sensibilité: Light sensitive.
• Point de fusion (°C): 200-205°C
• Poids moléculaire: 154.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.027 Da
• Monoisotopic Mass: 154.027 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 490-79-9, the molecular formula is C7H6O4, and the molecular weight is 154.12 g/mol. InChIKey WXTMDXOMEHJXQO-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.