433071

5-Chloro-1-indanone

99%

• Empirical Formula (Hill Notation): C₉H₇ClO
• CAS Number: 42348-86-7
• Molecular Weight: 166.60
• NACRES: NA.22
• PubChem Substance ID: 24867120
• UNSPSC Code: 12352100
• MDL number: MFCD00041456
• Assay: 99%
• Form: powder

Properties

• Quality Segment: 100
• assay: 99%
• form: powder
• mp: 94-98 °C (lit.)
• functional group: chloro, ketone
• SMILES string: Clc1ccc2C(=O)CCc2c1
• InChI: 1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
• InChI key: MEDSHTHCZIOVPU-UHFFFAOYSA-N

Description

General description

5-Chloro-1-indanone is a 5-halo-1-indanone. It participates in the Irie′s synthesis of substituted pyridines. 5-Chloro-1-indanone has a stable triclinic crystal structure and has intermolecular forces of C-H...O, C-H...Π, CO...Cl and Π...Π types.

Application

5-Chloro-1-indanone may be used as starting reagent for the preparation of 5-chloro-2-methoxycarbonyl-1-indanone. It may be used for the preparation of important biomedical compounds such as anticonvulsants, anticholinergics and diarylsulfonylureas, having potential activity against solid tumors.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H302 + H312 + H332,H315,H319,H335
• Precautionary Statements: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• PPE (personal protective equipment): dust mask type N95 (US), Eyeshields, Gloves