2-Amino-3,4,5,6-tetrafluorobenzoic acid - ≥98% , CAS No.1765-42-0

CAS: 1765-42-0 Cat. No.: A167964 Peso molecular: 209.1 Número EC: 624-533-9

GRADE & PURITY ≥98%

Synonyms

3,4,5,6-Tetrafluoroanthranilic acid | SCHEMBL6036813 | 2-Amino-3,4,5,6-tetrafluorobenzoic acid, 98% | SB78125 | 2-Amino-3,4,5,6-tetrafluorobenzoic acid | AKOS015889438 | DTXSID50350820 | Tetrafluoroanthranilic acid | CNSGPAMLXMBLNA-UHFFFAOYSA-N | 6-Amino-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3, 4, 5, 6-Tetrafluoroanthranilic acid | SCHEMBL6036813 | 2-Amino-3, 4, 5, 6-tetrafluorobenzoic acid, 98% | SB78125 | 2-Amino-3, 4, 5, 6-tetrafluorobenzoic acid | AKOS015889438 | DTXSID50350820 | Tetrafluoroanthranilic acid | CNSGPAMLXMBLNA-UHFFFAOYSA-N | 6-Amino-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1(=C(C(=C(C(=C1F)F)F)F)N)C(=O)O
• IUPAC Name: 2-amino-3,4,5,6-tetrafluorobenzoic acid
• InChIKey: CNSGPAMLXMBLNA-UHFFFAOYSA-N
• INCHI: 1S/C7H3F4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
• Isómeros SMILES: C1(=C(C(=C(C(=C1F)F)F)F)N)C(=O)O
• Peso molecular: 209.1
• Reaxy-Rn: 2121137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2121137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Vinylogous halides Amino acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines Organic oxides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous amide - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 141-143 °C
• Peso molecular: 209.100 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 209.01 Da
• Monoisotopic Mass: 209.01 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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