2'-Nitroacetophenon - ≥95% , CAS No.577-59-3

CAS: 577-59-3 Cat. No.: N104507 Summenformel: C₈H₇NO₃ Molekulargewicht: 165.15 Beilstein Registry Number: 1102322 EG-Nummer: 209-414-8

QUALITÄT & REINHEIT ≥95%

Synonyms

BRN 1102322 | UNII-52L53K4X3O | AC-2890 | CAS-577-59-3 | o-nitroacetophenon | 1-(2-Nitrophenyl)ethanone | 1-(2-nitro-phenyl)-ethanone | 1-(2-nitrophenyl)-ethanone | NCGC00091366-01 | CCRIS-2329 | NCGC00091366-02 | 2 inverted exclamation mark -Nitroacetoph

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

anwendung：

2'-Nitroacetophenon ist ein wichtiger Rohstoff und ein Zwischenprodukt für die organische Synthese, Pharmazeutika, Agrochemikalien und Farbstoffe. Es wird auch als synthetisches Reagenz verwendet. Es ist der Sensibilisator, der als pharmazeutisches Zwischenprodukt verwendet werden kann. Es kann auch zur Herstellung von 2-NitrobenzoesÃ?ure bei einer Temperatur von 20°C verwendet werden.

Spezifikationen

Synonyme

BRN 1102322 | UNII-52L53K4X3O | AC-2890 | CAS-577-59-3 | o-nitroacetophenon | 1-(2-Nitrophenyl)ethanone | 1-(2-nitro-phenyl)-ethanone | 1-(2-nitrophenyl)-ethanone | NCGC00091366-01 | CCRIS-2329 | NCGC00091366-02 | 2 inverted exclamation mark -Nitroacetoph

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528757718

Kanonisches Lächeln

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

IUPAC Name

1-(2-nitrophenyl)ethanone

InChIKey

SUGXZLKUDLDTKX-UHFFFAOYSA-N

INCHI

1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3

Isomere SMILES

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

WGK Deutschland

3

RTECS

AM9600000

Molekulargewicht

165.15

Beilstein

1102322

Reaxy-Rn

1102322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102322&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: Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

Zugehörige Ziele (menschlich)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: It is Soluble in water, partly in ethanol, ether, chloroform, and ethyl acetate.
• Gefrierpunkt (°C): 25 °C
• Brechungsindex: 1.55
• Flammpunkt (°F): 233.6 °F
• Flammpunkt (°C): 112 °C
• Siedepunkt (°C): 159°C
• Schmelzpunkt (°C): 23-27°C
• Molekulargewicht: 165.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.043 Da
• Monoisotopic Mass: 165.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 197.000
• 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