5-Bromoacetyl-2-hydroxybenzamide - technical grade, ≥90% , CAS No.73866-23-6

CAS: 73866-23-6 Cat. No.: B598727 Fórmula: C₉H₈BrNO₃ Peso molecular: 258.07 Número EC: 277-626-8

GRADE & PURITY Technical grade, ≥90%

Synonyms

5-(Bromoacetyl)-2-hydroxybenzamide | 5-Bromoacetyl salicylamide | Benzamide, 5-(bromoacetyl)-2-hydroxy- | CAS-88-63-1 | 5-Bromoacetyl-2-hydroxybenzamide | W-104442 | Benzamide, 5-(2-bromoacetyl)-2-hydroxy- | EN300-16612 | FT-0620155 | SCHEMBL1809513 | 3-M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product description：
5-Bromoacetyl-2-hydroxybenzamide is a reagent used in the synthesis of bisthiazole derivatives and novel 7-methylguanine derivatives targeting influenza polymerase binding domains.

Specifications

Sinónimos

5-(Bromoacetyl)-2-hydroxybenzamide | 5-Bromoacetyl salicylamide | Benzamide, 5-(bromoacetyl)-2-hydroxy- | CAS-88-63-1 | 5-Bromoacetyl-2-hydroxybenzamide | W-104442 | Benzamide, 5-(2-bromoacetyl)-2-hydroxy- | EN300-16612 | FT-0620155 | SCHEMBL1809513 | 3-M

Especificaciones y pureza

technical grade, ≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Grado

Grado técnico

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 508809999
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809999
• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
• IUPAC Name: 5-(2-bromoacetyl)-2-hydroxybenzamide
• InChIKey: VXWSXLSUWGZOHD-UHFFFAOYSA-N
• INCHI: 1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
• Peso molecular: 258.07
• Reaxy-Rn: 3286223
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3286223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Salicylamides Benzamides Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Alpha-haloketones Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Salicylic acid or derivatives - Salicylamide - Benzoic acid or derivatives - Benzamide - Aryl alkyl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Vinylogous acid - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Solubilidad: DMSO (Slightly), Methanol (Slightly)
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 202-204℃
• Peso molecular: 258.070 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.969 Da
• Monoisotopic Mass: 256.969 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 244.000
• 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