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(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid - >98.0%(T), high purity , CAS No.24435-45-8
Basic Description
Synonyms
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S) | Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)- | (S)-3,3,3-Trifluoro-2-hydroxyisobutyric Acid | (s)-2-hydroxy-2-trifluoro-methylpropionic acid | AKOS005063415 | (S)-3,3,3-Trifluoro-2-
Specifications & Purity
≥98%(T)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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
Description
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.
Names and Identifiers
Pubchem Sid
504764593
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764593
IUPAC Name
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
INCHI
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m0/s1
InChIKey
CTGJACFEVDCYMC-VKHMYHEASA-N
Smiles
CC(C(=O)O)(C(F)(F)F)O
Isomeric SMILES
C[C@](C(=O)O)(C(F)(F)F)O
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Sensitivity
Heat sensitive
Specific Rotation[α]
-16.5° (C=5,H2O)
Melt Point(°C)
110 °C
Molecular Weight
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
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D1713167