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3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic Acid - >98.0%(T), high purity , CAS No.662-22-6

COA

Grade & Purity:

≥98%(T)

Cas Number: 662-22-6
Molecular Weight: 212.05
Beilstein Registry Number: 3(4)796
MDL number: MFCD00190631
PubChem CID: 2725043
PubChem SID: 504760943

In stock

Item Number

T162564

Grouped product items
SKU	Size	Availability	Price
T162564-200mg	200mg	3	$20.90
T162564-1g	1g	3	$77.90
T162564-5g	5g	3	$387.90
T162564-25g	25g	3	$1,744.90
T162564-100g	100g	2	$6,279.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic Acid \| SCHEMBL569050 \| BFM \| 2,2-Bis(trifluoromethyl)-2-hydroxyacetic acid \| 2-Hydroxy-2,2-bis(trifluoromethyl)acetic Acid \| 4fp1 \| T2587 \| 2,2-bis-trifluoromethyl 2-hydroxyacetic acid \| 2,2-BIS(TRIFL
Specifications & Purity	≥98%(T)
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	3,3,3-Trifluoro-2-hydroxy-2-trifluoromethylpropionic Acid acts as a potent inhibitor of mandelate racemase with a novel binding mode.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Hydroxy acids and derivatives
    - Subclass Alpha hydroxy acids and derivatives

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
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

Names and Identifiers

Pubchem Sid	504760943
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760943
IUPAC Name	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
INCHI	InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)
InChIKey	CMQUGOHGJUTDGZ-UHFFFAOYSA-N
Smiles	C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
Isomeric SMILES	C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
PubChem CID	2725043
Molecular Weight	212.05
Beilstein	3(4)796
Reaxy-Rn	1790446

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2214678	Certificate of Analysis	Jul 28, 2022	T162564
J2214679	Certificate of Analysis	Jul 28, 2022	T162564
J2214340	Certificate of Analysis	Jul 28, 2022	T162564
J2214341	Certificate of Analysis	Jul 28, 2022	T162564
J2214338	Certificate of Analysis	Jul 28, 2022	T162564
K2413043	Certificate of Analysis	Jul 28, 2022	T162564

Chemical and Physical Properties

Solubility	Chloroform (Slightly), Methanol (Slightly)
Sensitivity	Moisture sensitive
Boil Point(°C)	153°C(lit.)
Melt Point(°C)	82.0 - 86.0 °C
Molecular Weight	212.050 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Exact Mass	211.991 Da
Monoisotopic Mass	211.991 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201.000
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

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