2,4-Dihydroxy-5-methoxybenzaldehyde - ≥97% , CAS No.51061-83-7

CAS: 51061-83-7 Cat. No.: D469286 Formule: C₈H₈O₄ Poids moléculaire: 168.15 Numéro CE: 694-544-1

GRADE & PURITY ≥97%

Synonyms

LS-08249 | 2,4-Dihydroxy-5-methoxybenzaldehyde, 97% | DTXSID70458271 | AKOS003368778 | FT-0728853 | SCHEMBL1004432 | SY264741 | ZFZAFNQYRZGWNK-UHFFFAOYSA-N | MFCD07626333 | 2,4-Dihydroxy-5-methoxybenzaldehyde

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

LS-08249 | 2,4-Dihydroxy-5-methoxybenzaldehyde, 97% | DTXSID70458271 | AKOS003368778 | FT-0728853 | SCHEMBL1004432 | SY264741 | ZFZAFNQYRZGWNK-UHFFFAOYSA-N | MFCD07626333 | 2,4-Dihydroxy-5-methoxybenzaldehyde

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC1=C(C=C(C(=C1)C=O)O)O
• IUPAC Name: 2,4-dihydroxy-5-methoxybenzaldehyde
• InChIKey: ZFZAFNQYRZGWNK-UHFFFAOYSA-N
• INCHI: 1S/C8H8O4/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-4,10-11H,1H3
• Isomères SMILES: COC1=C(C=C(C(=C1)C=O)O)O
• WGK Allemagne: 3
• Poids moléculaire: 168.15
• Reaxy-Rn: 1239300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1239300&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: Hydroxybenzaldehydes 4-alkoxyphenols Resorcinols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Resorcinol - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point de fusion (°C): 152 °C
• Poids moléculaire: 168.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 51061-83-7, the molecular formula is C8H8O4, and the molecular weight is 168.15 g/mol. InChIKey ZFZAFNQYRZGWNK-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.