2,3-Dimethoxybenzoic acid - ≥99% , CAS No.1521-38-6

CAS: 1521-38-6 Cat. No.: D102881 Summenformel: C₉H₁₀O₄ Molekulargewicht: 182.18 EG-Nummer: 216-188-4

GRADE & PURITY ≥99%

Synonyms

InChI=1/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11 | D0630 | SY004031 | MFCD00002432 | RB3188 | A19999 | AM20050168 | Q27456584 | SCHEMBL152563 | 2,3-Dimethoxybenzoic acid, Vetec(TM) reagent grade, 98% | dimethoxybenzoic acid | 2,3-Dime

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

InChI=1/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11 | D0630 | SY004031 | MFCD00002432 | RB3188 | A19999 | AM20050168 | Q27456584 | SCHEMBL152563 | 2,3-Dimethoxybenzoic acid, Vetec(TM) reagent grade, 98% | dimethoxybenzoic acid | 2,3-Dime

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488182080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182080
• Kanonisches Lächeln: COC1=CC=CC(=C1OC)C(=O)O
• IUPAC Name: 2,3-dimethoxybenzoic acid
• InChIKey: FODBVCSYJKNBLO-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
• Isomere SMILES: COC1=CC=CC(=C1OC)C(=O)O
• WGK Deutschland: 3
• RTECS: DG8598700
• Molekulargewicht: 182.18
• Reaxy-Rn: 2210858
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210858&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Methoxybenzoic acids and derivatives
          • Ebene6 O-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-methoxybenzoic acids and derivatives
• Alternative Parents: M-methoxybenzoic acids and derivatives Dimethoxybenzenes Benzoic acids Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol：almost transparency
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 122-124°C
• Molekulargewicht: 182.170 g/mol
• XLogP3: 1.700
• 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: 180.000
• 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

Referenzen

1. Tian Zheng, Xinru Wan, Qingchun Zhang, Bo Jin, Ru-Fang Peng.  (2019)  Catechol amide derivatized polyhydroxylated fullerene as potential chelating agents of radionuclides: Synthesis, reactive oxygen species scavenging, and cytotoxic studies.  JOURNAL OF INORGANIC BIOCHEMISTRY,      [PMID:31838330] [10.1016/j.jinorgbio.2019.110921]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1521-38-6, the molecular formula is C9H10O4, and the molecular weight is 182.18 g/mol. InChIKey FODBVCSYJKNBLO-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.