(S)-(-)-Trifluorolactic acid - ≥97% , CAS No.125995-00-8

CAS: 125995-00-8 Cat. No.: I166760 Summenformel: C₃H₃F₃O₃ Molekulargewicht: 144.05 EG-Nummer: 623-230-9

GRADE & PURITY ≥97%

Synonyms

(S)-Trifluorolactic Acid | J-005314 | C3H3F3O3 | D86392 | EN300-2969959 | SCHEMBL322140 | (S)-(-)-Trifluorolactic acid, 98% | Propanoic acid,3,3,3-trifluoro-2-hydroxy-, (2S)- | (S)-(-)-3,3,3-Trifluoro-2-hydroxypropanoic acid | rac-3,3,3-Trifluoro-2-hydrox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

(S)-Trifluorolactic Acid | J-005314 | C3H3F3O3 | D86392 | EN300-2969959 | SCHEMBL322140 | (S)-(-)-Trifluorolactic acid, 98% | Propanoic acid,3,3,3-trifluoro-2-hydroxy-, (2S)- | (S)-(-)-3,3,3-Trifluoro-2-hydroxypropanoic acid | rac-3,3,3-Trifluoro-2-hydrox

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488196244

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196244

Kanonisches Lächeln

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

IUPAC Name

(2S)-3,3,3-trifluoro-2-hydroxypropanoic acid

InChIKey

BVKGUTLIPHZYCX-SFOWXEAESA-N

INCHI

1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m0/s1

Isomere SMILES

[C@H](C(=O)O)(C(F)(F)F)O

WGK Deutschland

3

Molekulargewicht

144.05

Reaxy-Rn

1907003

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907003&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: Secondary 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 - Fluorohydrin - Halohydrin - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - 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: light & Moisture sensitive
• Spezifische Drehung [α]: [α]20/D -42°, c = 1 in chloroform
• Schmelzpunkt (°C): 72-76°C
• Molekulargewicht: 144.050 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 144.003 Da
• Monoisotopic Mass: 144.003 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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