Dimethyl oxalate - ≥99% , CAS No.553-90-2

CAS: 553-90-2 Cat. No.: D103009 Fórmula: CH₃OCOCOOCH₃ Peso molecular: 118.09 Beilstein Registry Number: 1071744 Número EC: 209-053-6

GRADE & PURITY ≥99%

Synonyms

Oxalic acid, dimethyl ester | dimethyl ethanedioate | EINECS 209-053-6 | UNII-IQ3Q79344S | METHYL OXALATE | Ethanedioic acid, dimethyl ester | NSC 9374 | NSC-9374 | MFCD00008442 | Oxalic acid dimethyl ester | Dimethyl oxalate | Ethanedioic acid, 1,2-dimet

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Dimethyl oxalate (DMO) was used as alternate fuel in direct oxidation fuel cell. DMO was used to study the IR spectra of DMO isolated in noble gas low-temperature matrices

Specifications

Sinónimos

Oxalic acid, dimethyl ester | dimethyl ethanedioate | EINECS 209-053-6 | UNII-IQ3Q79344S | METHYL OXALATE | Ethanedioic acid, dimethyl ester | NSC 9374 | NSC-9374 | MFCD00008442 | Oxalic acid dimethyl ester | Dimethyl oxalate | Ethanedioic acid, 1,2-dimet

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Product Line

D103009-100g

Nombres e identificadores

Pubchem Sid

504752065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752065

Sonrisas canónicas

COC(=O)C(=O)OC

IUPAC Name

dimethyl oxalate

InChIKey

LOMVENUNSWAXEN-UHFFFAOYSA-N

INCHI

1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

Isómeros SMILES

COC(=O)C(=O)OC

WGK Alemania

3

RTECS

RO2850000

Número ONU

3263

Grupo de embalaje

III

Peso molecular

118.09

Beilstein

1071744

Reaxy-Rn

1071744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: dicarboxylic acid

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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in cold water, soluble in ethanol and ether.
• Sensibilidad: monisture sensitive
• Índice de refracción: 1.39
• Punto de inflamación (°F): 167°F
• Punto de inflamación (°C): 75℃
• Punto de ebullición (°C): 163-164°C
• Punto de fusión (°C): 54°C
• Peso molecular: 118.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.600
• 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