1-Indanone - ≥99% , CAS No.83-33-0

CAS: 83-33-0 Cat. No.: I106436 Formule: C₉H₈O Poids moléculaire: 132.16 Beilstein Registry Number: 507957 Numéro CE: 201-470-1

GRADE & PURITY ≥99%

Synonyms

Indenone, dihydro- | DTXSID1058892 | s9346 | 1-Indanone | 1-Indone | AH-034/32845037 | INDANONE | Q15906439 | .alpha.-Indanone | C01504 | 1-Indanone, Vetec(TM) reagent grade, 98% | AC-2464 | AKOS000119606 | HY-W004333 | MFCD00003785 | 2,3-Dihydro-1-indeno

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Indenone, dihydro- | DTXSID1058892 | s9346 | 1-Indanone | 1-Indone | AH-034/32845037 | INDANONE | Q15906439 | .alpha.-Indanone | C01504 | 1-Indanone, Vetec(TM) reagent grade, 98% | AC-2464 | AKOS000119606 | HY-W004333 | MFCD00003785 | 2,3-Dihydro-1-indeno

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488180143
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180143
• Sourires canoniques: C1CC(=O)C2=CC=CC=C21
• IUPAC Name: 2,3-dihydroinden-1-one
• InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
• INCHI: 1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
• Isomères SMILES: C1CC(=O)C2=CC=CC=C21
• WGK Allemagne: 3
• Poids moléculaire: 132.16
• Beilstein: 507957
• Reaxy-Rn: 507957
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507957&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: Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: 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: an aromatic compound

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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (6.5 g/L at 20°C).
• Point d'éclair (°F): 231.8 °F
• Point d'éclair (°C): 113℃
• Point d'ébullition (°C): 245°C
• Point de fusion (°C): 42°C
• Poids moléculaire: 132.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• 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

Références

1. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]

2. Shanshan Jie, Congqiang Yang, Yuan Chen, Zhigang Liu.  (2018)  Facile synthesis of ultra-stable Co-N-C catalysts using cobalt porphyrin and peptides as precursors for selective oxidation of ethylbenzene.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2018.08.007]

3. Bing Xia, Yuanji Gao, Baocheng Ji, Fengwei Ma, Lisheng Ding, Yan Zhou.  (2018)  Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:29372550] [10.1007/s13361-017-1873-y]

4. Yuan Chen, Shanshan Jie, Congqiang Yang, Zhigang Liu.  (2017)  Active and efficient Co-N/C catalysts derived from cobalt porphyrin for selective oxidation of alkylaromatics.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2017.04.246]

5. Wu Hua-Lei, Zhang Jian-Dong, Zhang Chao-Feng, Fan Xiao-Jun, Chang Hong-Hong, Wei Wen-Long.  (2016)  Characterization of Four New Distinct ω-Transaminases from Pseudomonas putida NBRC 14164 for Kinetic Resolution of Racemic Amines and Amino Alcohols.  APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY,  181  (3): (972-985).  [PMID:27714638] [10.1007/s12010-016-2263-9]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% 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 83-33-0, the molecular formula is C9H8O, and the molecular weight is 132.16 g/mol. InChIKey QNXSIUBBGPHDDE-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.