Ethyl 3,3-difluorobutyrate - ≥96% , CAS No.2368-93-6

CAS: 2368-93-6 Cat. No.: E464173 Formule: C₆H₁₀F₂O₂ Poids moléculaire: 152.14 Numéro CE: 632-625-5

GRADE & PURITY ≥96%

Synonyms

AKOS032950021 | ETHYL3,3-DIFLUOROBUTYRATE | SCHEMBL11861490 | DTXSID30504480 | H10958 | ETHYL 3,3-DIFLUOROBUTYRATE | FS-4703 | Butanoic acid, 3,3-difluoro-, ethyl ester | Ethyl 3,3-difluorobutyrate, >=96.0% | MFCD15144889 | Ethyl 3,3-difluorobutanoate | 3

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

AKOS032950021 | ETHYL3,3-DIFLUOROBUTYRATE | SCHEMBL11861490 | DTXSID30504480 | H10958 | ETHYL 3,3-DIFLUOROBUTYRATE | FS-4703 | Butanoic acid, 3,3-difluoro-, ethyl ester | Ethyl 3,3-difluorobutyrate, >=96.0% | MFCD15144889 | Ethyl 3,3-difluorobutanoate | 3

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Sourires canoniques

CCOC(=O)CC(C)(F)F

IUPAC Name

ethyl 3,3-difluorobutanoate

InChIKey

JSMRUPPAFDYIRD-UHFFFAOYSA-N

INCHI

1S/C6H10F2O2/c1-3-10-5(9)4-6(2,7)8/h3-4H2,1-2H3

Isomères SMILES

CCOC(=O)CC(C)(F)F

WGK Allemagne

3

Numéro ONU

3272

Groupe d'emballage

III

Poids moléculaire

152.14

Reaxy-Rn

1759658

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'éclair (°F): 131 °F
• Point d'éclair (°C): 55 °C
• Poids moléculaire: 152.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 152.065 Da
• Monoisotopic Mass: 152.065 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123.000
• 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