Dimethyl difluoromalonate - ≥98% , CAS No.379-95-3

CAS: 379-95-3 Cat. No.: D352183 Summenformel: C₅H₆F₂O₄ Molekulargewicht: 168.10

GRADE & PURITY ≥98%

Synonyms

dimethyl 2,2-difluoropropanedioate | SY039128 | AKOS006272801 | AMY3267 | EN300-109111 | FT-0677596 | Malonic acid, difluoro-, dimethyl ester | PROPANEDIOIC ACID, DIFLUORO-, DIMETHYL ESTER | Dimethyl difluoropropanedioate | STL555490 | dimethyl 2,2-difluo

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

dimethyl 2,2-difluoropropanedioate | SY039128 | AKOS006272801 | AMY3267 | EN300-109111 | FT-0677596 | Malonic acid, difluoro-, dimethyl ester | PROPANEDIOIC ACID, DIFLUORO-, DIMETHYL ESTER | Dimethyl difluoropropanedioate | STL555490 | dimethyl 2,2-difluo

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528769618
• Kanonisches Lächeln: COC(=O)C(C(=O)OC)(F)F
• IUPAC Name: dimethyl 2,2-difluoropropanedioate
• InChIKey: NHTZDSRSPCFQCJ-UHFFFAOYSA-N
• INCHI: 1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3
• Isomere SMILES: COC(=O)C(C(=O)OC)(F)F
• UN-Nummer: 3272
• Verpackungsgruppe: III
• Molekulargewicht: 168.10
• Reaxy-Rn: 1777359
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777359&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Methyl esters Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 167-169° C
• Molekulargewicht: 168.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 168.023 Da
• Monoisotopic Mass: 168.023 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 11
• 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