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2-Bromobenzamide - >98.0%(HPLC), high purity , CAS No.4001-73-4

1 Citations

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 4001-73-4
Molecular Weight: 200.04
Beilstein Registry Number: 9348
MDL number: MFCD00007969
PubChem CID: 77616
PubChem SID: 504755198

In stock

Item Number

B152337

Grouped product items
SKU	Size	Availability	Price
B152337-1g	1g	5	$13.90
B152337-5g	5g	5	$53.90
B152337-25g	25g	1	$195.90
B152337-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$704.90

View related series

amide (313) Non heterocyclic block (8163)

Basic Description

Synonyms	Dipivalyl epinephrine hydrochloride \| DTXSID50193077 \| AKOS000197212 \| bromobenzamide \| EINECS 223-650-9 \| S-((6-Chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate \| InChI=1/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) \|
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	2-Bromobenzamide has been used in:microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones;palladium-catalyzed synthesis of phenanthridinones;synthesis of new water-soluble iminophosphorane ligand.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 2-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	2-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504755198
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755198
IUPAC Name	2-bromobenzamide
INCHI	InChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey	NHNAEZDWNCRWRW-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)N)Br
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)N)Br
WGK Germany	3
Molecular Weight	200.04
Beilstein	9348
Reaxy-Rn	2245289
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2245289&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
L2420055	Certificate of Analysis	Dec 21, 2024	B152337
C2019130	Certificate of Analysis	Jan 08, 2024	B152337
E2330058	Certificate of Analysis	Jun 07, 2023	B152337
L2214741	Certificate of Analysis	Dec 24, 2022	B152337

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Melt Point(°C)	158-162 °C
Molecular Weight	200.030 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	198.963 Da
Monoisotopic Mass	198.963 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138.000
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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