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N-Methyl 3-bromo-5-nitrobenzamide - 98%, high purity , CAS No.90050-52-5

COA

Grade & Purity:

≥98%

Cas Number: 90050-52-5
Molecular Weight: 259.1
PubChem CID: 22252686

In stock

Item Number

N187950

Grouped product items
SKU	Size	Availability	Price	Qty
N187950-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
N187950-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90

Discover N-Methyl 3-bromo-5-nitrobenzamide by Aladdin Scientific in 98% for only $175.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Bromo-N-methyl-5-nitrobenzamide \| 90050-52-5 \| N-Methyl 3-bromo-5-nitrobenzamide \| SCHEMBL583571 \| DTXSID40623914 \| HDFRUPQKYIBRNL-UHFFFAOYSA-N \| N-methyl-3-bromo-5-nitrobenzamide \| STR08721 \| 3-Bromo-N-methyl-5-nitro-benzamide \| MFCD09475916 \| AKOS015834158 \| BENZAMIDE,3-BR
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
      - Level5 Halobenzoic acids and derivatives
        Level6 3-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	3-halobenzoic acids and derivatives
Alternative Parents	Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen 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
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	3-bromo-N-methyl-5-nitrobenzamide
INCHI	InChI=1S/C8H7BrN2O3/c1-10-8(12)5-2-6(9)4-7(3-5)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey	HDFRUPQKYIBRNL-UHFFFAOYSA-N
Smiles	CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]
Isomeric SMILES	CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]
Molecular Weight	259.1
Reaxy-Rn	14223778
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14223778&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	259.060 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	257.964 Da
Monoisotopic Mass	257.964 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	241.000
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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