3-Bromo-N-(2-hydroxyethyl)benzamide - ≥97% , CAS No.57728-66-2

CAS: 57728-66-2 Cat. No.: B185331 Formule: C₉H₁₀BrNO₂ Poids moléculaire: 244.1

GRADE & PURITY ≥97%

Synonyms

AKOS008929988 | MFCD01249209 | SCHEMBL1663227 | BS-28975 | FT-0743485 | 3-bromo-N-(2-hydroxyethyl)benzamide | DTXSID20395122

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS008929988 | MFCD01249209 | SCHEMBL1663227 | BS-28975 | FT-0743485 | 3-bromo-N-(2-hydroxyethyl)benzamide | DTXSID20395122

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC(=CC(=C1)Br)C(=O)NCCO

IUPAC Name

3-bromo-N-(2-hydroxyethyl)benzamide

InChIKey

UEGSPYYXSPOOET-UHFFFAOYSA-N

INCHI

1S/C9H10BrNO2/c10-8-3-1-2-7(6-8)9(13)11-4-5-12/h1-3,6,12H,4-5H2,(H,11,13)

Isomères SMILES

C1=CC(=CC(=C1)Br)C(=O)NCCO

Poids moléculaire

244.1

Reaxy-Rn

3258214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3258214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Benzamides N-acylethanolamines Benzoyl derivatives Bromobenzenes Aryl bromides Secondary carboxylic acid amides Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - N-acylethanolamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Alkanolamine - Organobromide - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• 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: 244.080 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.989 Da
• Monoisotopic Mass: 242.989 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 175.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 57728-66-2, the molecular formula is C9H10BrNO2, and the molecular weight is 244.1 g/mol. InChIKey UEGSPYYXSPOOET-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.