2,6-Difluoro-3-hydroxybenzoic acid - ≥97% , CAS No.749230-32-8

CAS: 749230-32-8 Cat. No.: D186406 Summenformel: C₇H₄F₂O₃ Molekulargewicht: 174.10 EG-Nummer: 630-130-9

GRADE & PURITY ≥97%

Synonyms

A901737 | Z1255490013 | 2,6-Difluoro-3-hydroxybenzoic acid | MFCD08275286 | Benzoic acid, 2,6-difluoro-3-hydroxy- | PS-8639 | EN300-189610 | AKOS015995485 | VWIWRPLTBLVKBV-UHFFFAOYSA-N | 2,6 Difluoro 3-hydroxy benzoic acid | SY162737 | 2,6-Difluoro-3-hydr

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

A901737 | Z1255490013 | 2,6-Difluoro-3-hydroxybenzoic acid | MFCD08275286 | Benzoic acid, 2,6-difluoro-3-hydroxy- | PS-8639 | EN300-189610 | AKOS015995485 | VWIWRPLTBLVKBV-UHFFFAOYSA-N | 2,6 Difluoro 3-hydroxy benzoic acid | SY162737 | 2,6-Difluoro-3-hydr

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C(=C1O)F)C(=O)O)F

IUPAC Name

2,6-difluoro-3-hydroxybenzoic acid

InChIKey

VWIWRPLTBLVKBV-UHFFFAOYSA-N

INCHI

1S/C7H4F2O3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10H,(H,11,12)

Isomere SMILES

C1=CC(=C(C(=C1O)F)C(=O)O)F

Molekulargewicht

174.10

Reaxy-Rn

9763637

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9763637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: 2-halobenzoic acids Halobenzoic acids Benzoic acids P-fluorophenols 1-carboxy-2-haloaromatic compounds O-fluorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 4-halophenol - 2-halophenol - 1-carboxy-2-haloaromatic compound - 2-fluorophenol - 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

• Molekulargewicht: 174.100 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.013 Da
• Monoisotopic Mass: 174.013 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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