(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid - ≥97% , CAS No.44864-47-3

CAS: 44864-47-3 Cat. No.: R138854 Peso molecular: 158.08 Beilstein Registry Number: 3(4)794 Número EC: 671-272-1

GRADE & PURITY ≥97%

Synonyms

SCHEMBL569205 | (r)-trifluoro-2-hydroxy-2-methylpropionic acid | (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid | (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid | (R)-3,3,3-trifluoro-2-hydroxy-2-methyl-propionic acid | AKOS005063595 | AS-1039

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL569205 | (r)-trifluoro-2-hydroxy-2-methylpropionic acid | (2R)-3, 3, 3-trifluoro-2-hydroxy-2-methylpropanoic acid | (R)-3, 3, 3-Trifluoro-2-hydroxy-2-methylpropionic Acid | (R)-3, 3, 3-trifluoro-2-hydroxy-2-methyl-propionic acid | AKOS005063595 | AS-1039

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761582
• Sonrisas canónicas: CC(C(=O)O)(C(F)(F)F)O
• IUPAC Name: (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
• InChIKey: CTGJACFEVDCYMC-GSVOUGTGSA-N
• INCHI: 1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m1/s1
• Isómeros SMILES: C[C@@](C(=O)O)(C(F)(F)F)O
• Peso molecular: 158.08
• Beilstein: 3(4)794
• Reaxy-Rn: 1723691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723691&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Tertiary alcohols Fluorohydrins Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy acid - Tertiary alcohol - Fluorohydrin - Halohydrin - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Heat Sensitive
• Rotación específica [α]: 16.5° (C=5,H2O)
• Punto de fusión (°C): 110 °C
• Peso molecular: 158.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 158.019 Da
• Monoisotopic Mass: 158.019 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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