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Sigma-Aldrich

5-Chloro-1-indanone

99%

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About This Item

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

Quality Level

100

Assay

99%

form

powder

mp

94-98 °C (lit.)

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

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Weak hydrogen-, halogen-and stacking Π....Π bonding in crystalline 5-chloro-1-indanone. An analysis by using X-ray diffraction, vibrational spectroscopy and theoretical methods.
Ruiz TP, et al.
Chemical Physics, 320(2), 164-180 (2006)
5, 6, 7-Trimethoxy-2, 3-dihydroinden-1-one.
Saeed A and Bolte M.
Acta Crystallographica Section E, Structure Reports Online, 63(5), 2757-2757 (2007)
Synthesis of 5-Chloro-2-methoxycarbonyl-1-indanone [J].
HU X-G, et al.
Fine Chemicals / ????, 2, 022-022 (2009)
A facile synthesis of 7-halo-5H-indeno [1, 2-b] pyridines and-pyridin-5-ones.
DuPriest MT, et al.
The Journal of Organic Chemistry, 51(11), 2021-2023 (1986)

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