2-Bromo-3-fluoropropionic acid - ≥95% , CAS No.16652-36-1

CAS: 16652-36-1 Cat. No.: B167778 Fórmula: C₃H₄BrFO₂ Peso molecular: 170.97 Número CE: 630-651-1

GRADE & PURITY ≥95%

Synonyms

MFCD09800640 | J-010294 | 2-Bromo-3-fluoropropionicacid | Propanoic acid, 2-bromo-3-fluoro- | SCHEMBL11769242 | STL556649 | AKOS005254435 | 2-BROMO-3-FLUOROPROPIONIC ACID | BBL102841 | AT22926 | 2-bromo-3-fluoropropanoic acid | 2-Bromo-3-fluoropropionic a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09800640 | J-010294 | 2-Bromo-3-fluoropropionicacid | Propanoic acid, 2-bromo-3-fluoro- | SCHEMBL11769242 | STL556649 | AKOS005254435 | 2-BROMO-3-FLUOROPROPIONIC ACID | BBL102841 | AT22926 | 2-bromo-3-fluoropropanoic acid | 2-Bromo-3-fluoropropionic a

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C(C(C(=O)O)Br)F
• IUPAC Name: 2-bromo-3-fluoropropanoic acid
• InChIKey: FBPUCVAAEPPEMG-UHFFFAOYSA-N
• INCHI: 1S/C3H4BrFO2/c4-2(1-5)3(6)7/h2H,1H2,(H,6,7)
• SMILES isoméricas: C(C(C(=O)O)Br)F
• WGK Alemanha: 2
• Peso molecular: 170.97
• Reaxy-Rn: 1852313
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852313&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Peso molecular: 170.960 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.938 Da
• Monoisotopic Mass: 169.938 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 75.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1