4-Nitro-1-indanone - ≥97% , CAS No.24623-25-4

CAS: 24623-25-4 Cat. No.: N299491 Summenformel: C₉H₇NO₃ Molekulargewicht: 177.16 EG-Nummer: 246-367-2

GRADE & PURITY ≥97%

Synonyms

4-Nitro-indan-1-one | 4-Nitroindan-1-one | QIIWEVWPOBNGLP-UHFFFAOYSA-N | SB36154 | EINECS 246-367-2 | ethyl5-fluoro-indole-2-carboxylate | FT-0646057 | MFCD06656901 | 4-NITRO-1-INDANONE | AC-2271 | C.I. Acid Orange 6 | ND-0700 | UNII-887RZ2KVC6 | AM200400

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Application：

4-Nitroindanone is a versatile building block, capable of undergoing microwave-assisted oxidation to form ninhydrins. 4-Nitroindanone also has pharmaceutical relevance, as its thiosemicarbazone derivative has anti-Trypanosoma cruzi properties.

Specifications

Synonyme

4-Nitro-indan-1-one | 4-Nitroindan-1-one | QIIWEVWPOBNGLP-UHFFFAOYSA-N | SB36154 | EINECS 246-367-2 | ethyl5-fluoro-indole-2-carboxylate | FT-0646057 | MFCD06656901 | 4-NITRO-1-INDANONE | AC-2271 | C.I. Acid Orange 6 | ND-0700 | UNII-887RZ2KVC6 | AM200400

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504756036

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756036

Kanonisches Lächeln

C1CC(=O)C2=C1C(=CC=C2)[N+](=O)[O-]

IUPAC Name

4-nitro-2,3-dihydroinden-1-one

InChIKey

QIIWEVWPOBNGLP-UHFFFAOYSA-N

INCHI

1S/C9H7NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2

Isomere SMILES

C1CC(=O)C2=C1C(=CC=C2)[N+](=O)[O-]

Molekulargewicht

177.16

Reaxy-Rn

1570298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1570298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Nitroaromatic compounds Aryl alkyl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Flammpunkt (°C): 170.4℃
• Siedepunkt (°C): 332.9℃ at 760 mmHg
• Molekulargewicht: 177.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.043 Da
• Monoisotopic Mass: 177.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 246.000
• 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