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

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.