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5-Acetamido-2-bromobenzoic acid - 98%, high purity , CAS No.22921-67-1

COA

Grade & Purity:

≥98%

Cas Number: 22921-67-1
Molecular Weight: 258.1
PubChem CID: 2734159

In stock

Item Number

A182998

Grouped product items
SKU	Size	Availability	Price	Qty
A182998-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$573.90

Discover 5-Acetamido-2-bromobenzoic acid by Aladdin Scientific in 98% for only $573.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-acetamido-2-bromobenzoic acid \| 22921-67-1 \| 2-BROMO-5-ACETAMIDOBENZOIC ACID \| 5-(acetylamino)-2-bromobenzoic acid \| 5-acetamido-2-bromobenzoicacid \| SCHEMBL1671246 \| DTXSID30370147 \| 5-acetylamino-2-bromobenzoic acid \| BCP26301 \| STR05255 \| MFCD00040902 \| AKOS005206951 \| AC-2
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	P-haloacetanilides 2-halobenzoic acids Halobenzoic acids N-acetylarylamines Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - P-haloacetanilide - Haloacetanilide - Acetanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - N-acetylarylamine - Benzoic acid - Anilide - N-arylamide - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Vinylogous halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
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	5-acetamido-2-bromobenzoic acid
INCHI	InChI=1S/C9H8BrNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey	JUWQEPVNDAKOQG-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=C(C=C1)Br)C(=O)O
Isomeric SMILES	CC(=O)NC1=CC(=C(C=C1)Br)C(=O)O
Molecular Weight	258.1
Reaxy-Rn	3286005
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3286005&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.070 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	256.969 Da
Monoisotopic Mass	256.969 Da
Topological Polar Surface Area	66.400 Å²
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

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