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N-(4-Bromophenyl)-N-methylacetamide - ≥95%, high purity , CAS No.50438-47-6

COA

Grade & Purity:

≥95%

Cas Number: 50438-47-6
Molecular Weight: 228.1
PubChem CID: 4324567

In stock

Item Number

N709139

Grouped product items
SKU	Size	Availability	Price	Qty
N709139-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 P-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	P-haloacetanilides
Alternative Parents	Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Acetamides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-haloacetanilide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	N-(4-bromophenyl)-N-methylacetamide
INCHI	InChI=1S/C9H10BrNO/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,1-2H3
InChIKey	JDWFXKUASRMYEO-UHFFFAOYSA-N
Smiles	CC(=O)N(C)C1=CC=C(C=C1)Br
Isomeric SMILES	CC(=O)N(C)C1=CC=C(C=C1)Br
PubChem CID	4324567
Molecular Weight	228.1

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.090 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	226.995 Da
Monoisotopic Mass	226.995 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164.000
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

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