4'-Fluoro-3'-nitroacetophenone - ≥97% , CAS No.400-93-1

CAS: 400-93-1 Cat. No.: F121997 Formula: C₈H₆FNO₃ Peso molecolare: 183.14 Beilstein Registry Number: 2211976 Numero EC: 626-780-8

GRADE & PURITY ≥97%

Synonyms

1-(4-fluoro-3-nitrophenyl)ethanone | 1-(4-fluoro-3-nitrophenyl)-ethanone | 3'-NITRO-4'-FLUOROACETOPHENONE | DTXSID60370392 | ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)- | AM20040387 | AC-3620 | PTCNZDJJIOLIKQ-UHFFFAOYSA-N | FT-0601444 | A6699 | AS-15008 | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-(4-fluoro-3-nitrophenyl)ethanone | 1-(4-fluoro-3-nitrophenyl)-ethanone | 3'-NITRO-4'-FLUOROACETOPHENONE | DTXSID60370392 | ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)- | AM20040387 | AC-3620 | PTCNZDJJIOLIKQ-UHFFFAOYSA-N | FT-0601444 | A6699 | AS-15008 | SCHEM

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488192612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192612
• Sorrisi canonici: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• IUPAC Name: 1-(4-fluoro-3-nitrophenyl)ethanone
• InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
• Isomeri SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• WGK Germania: 3
• Peso molecolare: 183.14
• Beilstein: 2211976
• Reaxy-Rn: 2211976
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211976&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110°C(230°F)
• Punto di ebollizione (°C): 120°C/0.8mmHg
• Punto di fusione (°C): 50°C
• Peso molecolare: 183.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.033 Da
• Monoisotopic Mass: 183.033 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 226.000
• 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

Domande frequenti

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 400-93-1, the molecular formula is C8H6FNO3, and the molecular weight is 183.14 g/mol. InChIKey PTCNZDJJIOLIKQ-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.