Methyl 2,3-dimethoxybenzoate - ≥95% , CAS No.2150-42-7

CAS: 2150-42-7 Cat. No.: M168600 Summenformel: C₁₀H₁₂O₄ Molekulargewicht: 196.2 EG-Nummer: 218-425-7

GRADE & PURITY ≥95%

Synonyms

Methyl 2,3-dimethoxy benzoate | Uranium cation (6+) | 2,3-Dimethoxybenzoic acid methyl ester | 2,3-dimethoxy-benzoic acid methyl ester | SCHEMBL311487 | Q63409659 | METHYL2,3-DIMETHOXYBENZOATE | FT-0634071 | dimethoxy benzenecarboxylic acid methyl ester |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Methyl 2,3-dimethoxy benzoate | Uranium cation (6+) | 2,3-Dimethoxybenzoic acid methyl ester | 2,3-dimethoxy-benzoic acid methyl ester | SCHEMBL311487 | Q63409659 | METHYL2,3-DIMETHOXYBENZOATE | FT-0634071 | dimethoxy benzenecarboxylic acid methyl ester |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488185028

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185028

Kanonisches Lächeln

COC1=CC=CC(=C1OC)C(=O)OC

IUPAC Name

methyl 2,3-dimethoxybenzoate

InChIKey

MGLIMPUPAKQITQ-UHFFFAOYSA-N

INCHI

1S/C10H12O4/c1-12-8-6-4-5-7(9(8)13-2)10(11)14-3/h4-6H,1-3H3

Isomere SMILES

COC1=CC=CC(=C1OC)C(=O)OC

WGK Deutschland

3

Molekulargewicht

196.2

Reaxy-Rn

2692065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692065&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 acid esters Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Benzoyl - Methoxybenzene - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 180-185 °C/50 mmHg
• Schmelzpunkt (°C): 48-52°C
• Molekulargewicht: 196.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 2150-42-7, the molecular formula is C10H12O4, and the molecular weight is 196.2 g/mol. InChIKey MGLIMPUPAKQITQ-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.