2,4-Difluoromandelic acid - ≥98% , CAS No.132741-30-1

CAS: 132741-30-1 Cat. No.: D181185 Formule: C₈H₆F₂O₃ Poids moléculaire: 188.13 Numéro CE: 670-840-6

GRADE & PURITY ≥98%

Synonyms

DTXSID90343276 | EN300-1869317 | AKOS005265295 | Benzeneacetic acid, 2,4-difluoro-alpha-hydroxy- | (2,4-Difluorophenyl)(hydroxy)acetic acid # | 4-FLUORO-2,3-DIHYDRO-1H-INDOLEHYDROCHLORIDE | 2-(2,4-difluorophenyl)-2-hydroxyacetic acid | PS-6481 | SY062107

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID90343276 | EN300-1869317 | AKOS005265295 | Benzeneacetic acid, 2,4-difluoro-alpha-hydroxy- | (2,4-Difluorophenyl)(hydroxy)acetic acid # | 4-FLUORO-2,3-DIHYDRO-1H-INDOLEHYDROCHLORIDE | 2-(2,4-difluorophenyl)-2-hydroxyacetic acid | PS-6481 | SY062107

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1=CC(=C(C=C1F)F)C(C(=O)O)O

IUPAC Name

2-(2,4-difluorophenyl)-2-hydroxyacetic acid

InChIKey

RRRQFGNNRJHLNV-UHFFFAOYSA-N

INCHI

1S/C8H6F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)

Isomères SMILES

C1=CC(=C(C=C1F)F)C(C(=O)O)O

Poids moléculaire

188.13

Reaxy-Rn

13767825

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13767825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Alpha-hydroxy acid - Aryl fluoride - Aryl halide - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

Propriétés chimiques et physiques

• Sensibilité: light & Moisture sensitive
• Poids moléculaire: 188.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.029 Da
• Monoisotopic Mass: 188.029 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• 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