Cosan528 - ≥95% , CAS No.96686-51-0

CAS: 96686-51-0 Cat. No.: C699734 Formule: C₉H₉BrClNO Poids moléculaire: 262.53 Numéro CE: 661-379-1

GRADE & PURITY ≥95%

Synonyms

N-(4-Bromo-2-Methylphenyl)-2-Chloroacetamide | 2-Chloro-N-(2-methyl-4-bromophenyl)acetamide | St5214147

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Cosan528 is an antifungal compound

Specifications

Synonymes

N-(4-Bromo-2-Methylphenyl)-2-Chloroacetamide | 2-Chloro-N-(2-methyl-4-bromophenyl)acetamide | St5214147

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1=C(C=CC(=C1)Br)NC(=O)CCl
• IUPAC Name: N-(4-bromo-2-methylphenyl)-2-chloroacetamide
• InChIKey: AKNLFHJQVCPHHO-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
• Isomères SMILES: CC1=C(C=CC(=C1)Br)NC(=O)CCl
• Poids moléculaire: 262.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Toluenes Bromobenzenes Aryl bromides Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl chloride - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Poids moléculaire: 262.530 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 260.956 Da
• Monoisotopic Mass: 260.956 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 96686-51-0, the molecular formula is C9H9BrClNO, and the molecular weight is 262.53 g/mol. InChIKey AKNLFHJQVCPHHO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.