2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine - ≥95%(T) , CAS No.26940-56-7

CAS: 26940-56-7 Cat. No.: C153403 Peso molecular: 285.08 Número EC: 679-615-7

GRADE & PURITY ≥95%(T)

Synonyms

D89350 | 3-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]benzoic acid # | m-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)benzoic acid | 3-(4,6-dichloro-1,3,5-triazin-2-ylamino)benzoic acid | FT-0708124 | DTXSID40347724 | 3-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)ben

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

D89350 | 3-[(4, 6-Dichloro-1, 3, 5-triazin-2-yl)amino]benzoic acid # | m-((4, 6-Dichloro-1, 3, 5-triazin-2-yl)amino)benzoic acid | 3-(4, 6-dichloro-1, 3, 5-triazin-2-ylamino)benzoic acid | FT-0708124 | DTXSID40347724 | 3-((4, 6-Dichloro-1, 3, 5-triazin-2-yl)amino)ben

Especificaciones y pureza

≥95%(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)Cl)C(=O)O
• IUPAC Name: 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
• InChIKey: WQKKRBIBVKBSPV-UHFFFAOYSA-N
• INCHI: 1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-2-5(4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)
• Isómeros SMILES: C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)Cl)C(=O)O
• Peso molecular: 285.08
• Reaxy-Rn: 54099546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54099546&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: Benzoic acids Aniline and substituted anilines Benzoyl derivatives Aminotriazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Amino acids Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Aryl halide - Triazine - Aryl chloride - 1,3,5-triazine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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

• Peso molecular: 285.080 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 283.987 Da
• Monoisotopic Mass: 283.987 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 298.000
• 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