3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid - ≥97% , CAS No.374-35-6

CAS: 374-35-6 Cat. No.: T162533 Summenformel: C₄H₅F₃O₃ Molekulargewicht: 158.08 Beilstein Registry Number: 3(4)795 EG-Nummer: 609-428-8

GRADE & PURITY ≥97%

Synonyms

3,3,3-trifiuoro-2-hydroxy-2-methylpropanoic acid | 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid | 3,3,3-trifluoro2-hydroxy-2-methylpropanoic acid | MFCD00190646 | T1902 | FT-0676382 | SY103950 | 3,3,3-trifluoro-2- hydroxy-2-methylpropanoic acid | Prop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

3,3,3-trifiuoro-2-hydroxy-2-methylpropanoic acid | 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid | 3,3,3-trifluoro2-hydroxy-2-methylpropanoic acid | MFCD00190646 | T1902 | FT-0676382 | SY103950 | 3,3,3-trifluoro-2- hydroxy-2-methylpropanoic acid | Prop

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504761898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761898

Kanonisches Lächeln

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

IUPAC Name

3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid

InChIKey

CTGJACFEVDCYMC-UHFFFAOYSA-N

INCHI

1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)

Isomere SMILES

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

Molekulargewicht

158.08

Beilstein

3(4)795

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
    • Klasse Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic,Heat Sensitive
• Siedepunkt (°C): 189°C(lit.)
• Schmelzpunkt (°C): 88 °C
• Molekulargewicht: 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: 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