2-Indanone oxime - ≥96% , CAS No.3349-63-1

CAS: 3349-63-1 Cat. No.: I468135 Summenformel: C₉H₉NO Molekulargewicht: 147.17

GRADE & PURITY ≥96%

Synonyms

NSC62556 | NSC-62556 | UJLFLOAXKVGYIA-UHFFFAOYSA-N | 1,3-Dihydro-2H-inden-2-one oxime # | SCHEMBL5190200 | Benzenamine, 4-bromo-3-(trifluoromethyl)- | D86143 | DTXSID4062987 | NCIOpen2_000087 | 2-Indanone oxime, 96% | Methyl pentafluorophenyl ether | SY31

Storage

Room temperature

Übersicht

Reduction of 2-indanone oxime to 2-aminoindane has been reported.

Description

Reduction of 2-indanone oxime to 2-aminoindane has been reported.2-Indanone oxime may be used for the preparation of 2-aminoindane hydrochloride by using active palladium catalyst.

 2-Indanone oxime may be used for the preparation of 2-aminoindane hydrochloride by using active palladium catalyst.

Specifications

Synonyme

NSC62556 | NSC-62556 | UJLFLOAXKVGYIA-UHFFFAOYSA-N | 1,3-Dihydro-2H-inden-2-one oxime # | SCHEMBL5190200 | Benzenamine, 4-bromo-3-(trifluoromethyl)- | D86143 | DTXSID4062987 | NCIOpen2_000087 | 2-Indanone oxime, 96% | Methyl pentafluorophenyl ether | SY31

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488185339

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185339

Kanonisches Lächeln

C1C(=NO)CC2=CC=CC=C21

IUPAC Name

N-(1,3-dihydroinden-2-ylidene)hydroxylamine

InChIKey

UJLFLOAXKVGYIA-UHFFFAOYSA-N

INCHI

1S/C9H9NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-4,11H,5-6H2

Isomere SMILES

C1C(=NO)CC2=CC=CC=C21

WGK Deutschland

3

Molekulargewicht

147.17

Reaxy-Rn

1449020

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Ketoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Ketoxime - Oxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: indanes

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): 152-154℃
• Molekulargewicht: 147.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 3349-63-1, the molecular formula is C9H9NO, and the molecular weight is 147.17 g/mol. InChIKey UJLFLOAXKVGYIA-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.