Ethyl Difluoroacetate - ≥99% , CAS No.454-31-9

CAS: 454-31-9 Cat. No.: E616466 분자식: C₄H₆F₂O₂ 분자량: 124.09 EC 번호: 207-223-4

등급 & 순도 ≥99%

Synonyms

BBL027798 | InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | EN300-35673 | GZKHDVAKKLTJPO-UHFFFAOYSA- | DTXSID0060010 | EC 207-223-4 | EINECS 207-223-4 | MFCD00013578 | Q-102546 | SCHEMBL238384 | Difluoroacetic Acid Ethyl Ester | Z361436550 | FT-0624918 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

BBL027798 | InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | EN300-35673 | GZKHDVAKKLTJPO-UHFFFAOYSA- | DTXSID0060010 | EC 207-223-4 | EINECS 207-223-4 | MFCD00013578 | Q-102546 | SCHEMBL238384 | Difluoroacetic Acid Ethyl Ester | Z361436550 | FT-0624918 |

사양 및 순도

≥99%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥99%

이름과 식별자

Pubchem Sid

508812111

정식 스마일

CCOC(=O)C(F)F

IUPAC Name

ethyl 2,2-difluoroacetate

InChIKey

GZKHDVAKKLTJPO-UHFFFAOYSA-N

INCHI

1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

이성체 SMILES

CCOC(=O)C(F)F

WGK 독일

3

UN 번호

2924

분자량

124.09

Reaxy-Rn

1748597

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 굴절률: 1.347
• 발화점(°F): 73.4 °F
• 발화점(°C): 24 °C
• 끓는점(°C): 99.2°C
• 분자량: 124.090 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 124.034 Da
• Monoisotopic Mass: 124.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.100
• 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