5-Methoxyresorcinol - ≥98% , CAS No.2174-64-3

CAS: 2174-64-3 Cat. No.: M473049 Formule: CH₃OC₆H₃-1,3-(OH)₂ Poids moléculaire: 140.14 Beilstein Registry Number: 1423578 Numéro CE: 218-532-9

GRADE & PURITY ≥98%

Synonyms

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

​Kinetics of the aroxyl radical-scavenging action of 5-methoxyresorcinol has been investigated. The kinetics of reaction of 5,7-diisopropyl-tocopheroxyl radical (Toc) with 5-methoxyresorcinol has been measured by stopped-flow spectrophotometer.5-Methoxyresorcinol was used in synthesis of:isorobustinsubstituted linear and angular benzofurocoumarins

Application：
It was used in synthesis of:
• isorobustin.
• substituted linear and angular benzofurocoumarins.

Specifications

Synonymes

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488184670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184670
• Sourires canoniques: COC1=CC(=CC(=C1)O)O
• IUPAC Name: 5-methoxybenzene-1,3-diol
• InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
• Isomères SMILES: COC1=CC(=CC(=C1)O)O
• WGK Allemagne: 3
• Poids moléculaire: 140.14
• Beilstein: 1423578
• Reaxy-Rn: 1423578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a small molecule

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

Cibles associées (humaines)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Point d'ébullition (°C): 213°C/16mmHg
• Point de fusion (°C): 78-80 °C
• Poids moléculaire: 140.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• 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 2174-64-3, the molecular formula is C7H8O3, and the molecular weight is 140.14 g/mol. InChIKey HDVRLUFGYQYLFJ-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.