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5-bromo-1-methyl-3-nitro-1,2-dihydropyridin-2-one - 97%, high purity , CAS No.153888-45-0

COA

Grade & Purity:

≥97%

Cas Number: 153888-45-0
Molecular Weight: 233.02
PubChem CID: 52911253

In stock

Item Number

B174514

Grouped product items
SKU	Size	Availability	Price	Qty
B174514-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90

Discover 5-bromo-1-methyl-3-nitro-1,2-dihydropyridin-2-one by Aladdin Scientific in 97% for only $67.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-1-methyl-3-nitropyridin-2(1H)-one \| 153888-45-0 \| 5-bromo-1-methyl-3-nitro-1,2-dihydropyridin-2-one \| 5-bromo-1-methyl-3-nitropyridin-2-one \| MFCD09835081 \| SCHEMBL255765 \| DTXSID70680575 \| VFWZQRFZMKHGOY-UHFFFAOYSA-N \| AKOS015850728 \| AKOS034830304 \| SB10150 \| AM80326
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Pyridinones Dihydropyridines Aryl bromides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organobromides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
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-bromo-1-methyl-3-nitropyridin-2-one
INCHI	InChI=1S/C6H5BrN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12/h2-3H,1H3
InChIKey	VFWZQRFZMKHGOY-UHFFFAOYSA-N
Smiles	CN1C=C(C=C(C1=O)[N+](=O)[O-])Br
Isomeric SMILES	CN1C=C(C=C(C1=O)[N+](=O)[O-])Br
Molecular Weight	233.02
Reaxy-Rn	15020647
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15020647&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	233.020 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	231.948 Da
Monoisotopic Mass	231.948 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	302.000
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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