1-Indanone - 10mM in DMSO , CAS No.83-33-0

CAS: 83-33-0 Cat. No.: I426156 Molecular Weight: 132.16 Beilstein Registry Number: 507957 EC Number: 201-470-1

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CC(=O)C2=CC=CC=C21
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Flash Point(°F): 231.8 °F
• Flash Point(°C): 113℃
• Boil Point(°C): 245°C
• Melt Point(°C): 42°C
• Molecular Weight: 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

References

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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]