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

CAS: 73866-23-6 Cat. No.: B598727 Summenformel: C₉H₈BrNO₃ Molekulargewicht: 258.07 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

technical grade, ≥90%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Technische Qualität

Reinheit

≥90%

Namen und Kennungen

• Pubchem Sid: 508809999
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809999
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly), Methanol (Slightly)
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 202-204℃
• Molekulargewicht: 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