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

CAS: 6277-38-9 Cat. No.: M304200 Summenformel: C₉H₉NO₄ Molekulargewicht: 195.17

QUALITÄT & REINHEIT ≥97%

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

Storage

Room temperature

Shipped In

Normal

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488185863

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185863

Kanonisches Lächeln

CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

IUPAC Name

1-(4-methoxy-3-nitrophenyl)ethanone

InChIKey

VXLKYQQBEPCMJE-UHFFFAOYSA-N

INCHI

1S/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3

Isomere SMILES

CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

Molekulargewicht

195.17

Reaxy-Rn

646069

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=646069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 98 °C
• Molekulargewicht: 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 Ų
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6277-38-9, the molecular formula is C9H9NO4, and the molecular weight is 195.17 g/mol. InChIKey VXLKYQQBEPCMJE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.