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

CAS: 24623-25-4 Cat. No.: N299491 Formula: C₉H₇NO₃ Peso molecolare: 177.16 Numero EC: 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

Normale

Panoramica

Applicazione del prodotto：il 4-Nitroindanone è un blocco versatile, in grado di subire l'ossidazione a microonde

il 4-Nitroindanone è un blocco di costruzione versatile, in grado di subire un'ossidazione assistita da microonde per formare ninidrine. il 4-Nitroindanone ha anche rilevanza farmaceutica, in quanto il suo derivato tiosemicarbazone ha proprietà anti-Trypanosoma cruzi.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504756036

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di infiammabilità (°C): 170.4℃
• Punto di ebollizione (°C): 332.9℃ at 760 mmHg
• Peso molecolare: 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