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4'-Methoxy-3'-nitroacetophenone - 97%, high purity , CAS No.6277-38-9

COA

Grade & Purity:

≥97%

Cas Number: 6277-38-9
Molecular Weight: 195.17
MDL number: MFCD00017023
PubChem CID: 80470
PubChem SID: 488185863

In stock

Item Number

M304200

Grouped product items
SKU	Size	Availability	Price
M304200-1g	1g	2	$13.90
M304200-5g	5g	2	$52.90
M304200-25g	25g	2	$235.90
M304200-100g	100g	2	$846.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 228-476-7 \| MFCD00017023 \| BB 0221147 \| EN300-131180 \| DTXSID90211840 \| Z31131394 \| 3-nitro-4-methoxyacetophenone \| SCHEMBL4337680 \| 2-(Methylsulfonyl)-1H-imidazole \| FT-0618891 \| M2811 \| F0001-1689 \| KR6MZG2XUB \| 1-(4-Methoxy-3-nitrophenyl)ethan-1
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4′-Methoxy-3′-nitroacetophenone can be synthesized from p-methoxyacetophenone via nitration. Application： 4′-Methoxy-3′-nitroacetophenone may be used to synthesize dimethylamino compound, via W2 Raney nickel catalyzed reductive methylation.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Nitrophenyl ethers Acetophenones Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic zwitterions Organonitrogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Nitrophenyl ether - Acetophenone - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Pubchem Sid	488185863
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185863
IUPAC Name	1-(4-methoxy-3-nitrophenyl)ethanone
INCHI	InChI=1S/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3
InChIKey	VXLKYQQBEPCMJE-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]
Isomeric SMILES	CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]
Molecular Weight	195.17
Reaxy-Rn	646069
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=646069&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
B2316233	Certificate of Analysis	Sep 19, 2022	M304200
B2316144	Certificate of Analysis	Sep 19, 2022	M304200
B2316126	Certificate of Analysis	Sep 19, 2022	M304200
B2316118	Certificate of Analysis	Sep 19, 2022	M304200
B2316032	Certificate of Analysis	Sep 19, 2022	M304200
B2315630	Certificate of Analysis	Sep 19, 2022	M304200
B2316143	Certificate of Analysis	Sep 19, 2022	M304200
B2316030	Certificate of Analysis	Sep 19, 2022	M304200

Chemical and Physical Properties

Melt Point(°C)	98 °C
Molecular Weight	195.170 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.053 Da
Monoisotopic Mass	195.053 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235.000
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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