5-Hydroxy-1-indanone - ≥98% , CAS No.3470-49-3

CAS: 3470-49-3 Cat. No.: H103118 Formula: C₉H₈O₂ Molecular Weight: 148.16 Beilstein Registry Number: 8(1)558 EC Number: 627-457-4

GRADE & PURITY ≥98%

Synonyms

5-hydroxy-2,3-dihydro-1H-indene-1-one | Z1255457932 | tri-tert butylphosphine | 5-Hydroxy-1-indanone, 95% | 5-hydroxy-2,3-dihydro-1H-inden-1-one | AKOS005207246 | 5-Hydroxyindanone | 1-oxo-5-indanol | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy- | 5-Hydroxy-1-i

Storage

Room temperature

Shipped In

Normal

Overview

Product Introduction

5-Hydroxy-1-indanone is a 1-indanone derivative.

Application

5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.

Specifications

Synonyms

5-hydroxy-2,3-dihydro-1H-indene-1-one | Z1255457932 | tri-tert butylphosphine | 5-Hydroxy-1-indanone, 95% | 5-hydroxy-2,3-dihydro-1H-inden-1-one | AKOS005207246 | 5-Hydroxyindanone | 1-oxo-5-indanol | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy- | 5-Hydroxy-1-i

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488188842

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188842

Canonical Smiles

C1CC(=O)C2=C1C=C(C=C2)O

IUPAC Name

5-hydroxy-2,3-dihydroinden-1-one

InChIKey

ZRKQOVXGDIZYDS-UHFFFAOYSA-N

INCHI

1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2

Isomeric SMILES

C1CC(=O)C2=C1C=C(C=C2)O

WGK Germany

3

Molecular Weight

148.16

Beilstein

8(1)558

Reaxy-Rn

1281906

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281906&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 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 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: 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

Chemical and Physical Properties

• x_melt_point_char: 175°C
• Molecular Weight: 148.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 176.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% 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 3470-49-3, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey ZRKQOVXGDIZYDS-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.