2-(4-Bromophenoxy)acetamide - ≥97% , CAS No.35368-75-3

CAS: 35368-75-3 Cat. No.: B478995 Formule: C₈H₈BrNO₂ Poids moléculaire: 230.061

GRADE & PURITY ≥97%

Synonyms

AS-43041 | IFFIYLGFSQQYFB-UHFFFAOYSA-N | SR-01000510967-1 | CBDivE_001329 | FT-0768478 | AKOS000190866 | SCHEMBL1432953 | 2-(4-bromophenoxy)acetamide | 2-(4-Bromo-phenoxy)-acetamide | DTXSID50307273 | Oprea1_317353 | MFCD00466099 | HMS1578K04 | NSC190601

Storage

Room temperature

Specifications

Synonymes

AS-43041 | IFFIYLGFSQQYFB-UHFFFAOYSA-N | SR-01000510967-1 | CBDivE_001329 | FT-0768478 | AKOS000190866 | SCHEMBL1432953 | 2-(4-bromophenoxy)acetamide | 2-(4-Bromo-phenoxy)-acetamide | DTXSID50307273 | Oprea1_317353 | MFCD00466099 | HMS1578K04 | NSC190601

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC=C1OCC(=O)N)Br
• IUPAC Name: 2-(4-bromophenoxy)acetamide
• InChIKey: IFFIYLGFSQQYFB-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• Isomères SMILES: C1=CC(=CC=C1OCC(=O)N)Br
• Poids moléculaire: 230.061
• Reaxy-Rn: 3257932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3257932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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: 230.060 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.974 Da
• Monoisotopic Mass: 228.974 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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.

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

The CAS Number is 35368-75-3, the molecular formula is C8H8BrNO2, and the molecular weight is 230.061 g/mol. InChIKey IFFIYLGFSQQYFB-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.