3,4-dimethoxy-2-hydroxybenzaldehyde - ≥97% , CAS No.19283-70-6

CAS: 19283-70-6 Cat. No.: D478786 分子式: C₉H₁₀O₄ 分子量: 182.17 EC番号: 242-936-4

GRADE & PURITY ≥97%

Synonyms

3,4-Dimethoxy-2-hydroxybenzaldehyde | Z1198147540 | BS-51744 | 2-hydroxy-3,4-dimethoxybenzaldehyde | 2-hydroxy-3,4-dimethoxy-benzaldehyde | AKOS006280825 | Y9ET3S77J6 | 3,4-dimethoxy-2-hydroxybenzaldehyde, AldrichCPR | E82502 | 3,4-Dimethoxysalicylaldehyd

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

3,4-Dimethoxy-2-hydroxybenzaldehyde | Z1198147540 | BS-51744 | 2-hydroxy-3,4-dimethoxybenzaldehyde | 2-hydroxy-3,4-dimethoxy-benzaldehyde | AKOS006280825 | Y9ET3S77J6 | 3,4-dimethoxy-2-hydroxybenzaldehyde, AldrichCPR | E82502 | 3,4-Dimethoxysalicylaldehyd

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: COC1=C(C(=C(C=C1)C=O)O)OC
• IUPAC Name: 2-hydroxy-3,4-dimethoxybenzaldehyde
• InChIKey: UIOMNPYQUBMBOJ-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c1-12-7-4-3-6(5-10)8(11)9(7)13-2/h3-5,11H,1-2H3
• 異性体SMILES: COC1=C(C(=C(C=C1)C=O)O)OC
• 分子量: 182.17
• Reaxy-Rn: 1875129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875129&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Hydroxybenzaldehydes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - O-dimethoxybenzene - Dimethoxybenzene - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 融点（°C）: 74 °C
• 分子量: 182.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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

よくある質問

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 19283-70-6, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey UIOMNPYQUBMBOJ-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.