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

CAS: 73866-23-6 Cat. No.: B598727 Formule: C₉H₈BrNO₃ Poids moléculaire: 258.07 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

technical grade, ≥90%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Technical grade

Pureté

≥90%

Noms et identifiants

Pubchem Sid

508809999

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809999

Sourires canoniques

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)

Isomères SMILES

C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO (Slightly), Methanol (Slightly)
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 202-204℃
• Poids moléculaire: 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