4-Bromo-2-isopropyl-1-indanone

Basic Information

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CAS Number

892575-08-5

Molecular Formula

C12H13BrO

Molecular Weight

253.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)C1CC2=C(C1=O)C=CC=C2Br

InChI

InChI=1S/C12H13BrO/c1-7(2)9-6-10-8(12(9)14)4-3-5-11(10)13/h3-5,7,9H,6H2,1-2H3

InChIKey

NBMQLWXVSZYABX-UHFFFAOYSA-N

LogP

3.4601000000000015

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

237

Synonyms & References

English

2-isopropyl-4-bromo-1-indanone
NBMQLWXVSZYABX-UHFFFAOYSA-N
892575-08-5
AKOS040694856
4-Bromo-2-isopropylindan-1-one
AMY31512
4-bromo-2-propan-2-yl-2,3-dihydroinden-1-one
4-Bromo-2-isopropyl-2,3-dihydro-1H-inden-1-one
4-bromo-2-(propan-2-yl)-2,3-dihydro-1H-inden-1-one
A854838
4-Bromo-2-isopropyl-1-indanone
SCHEMBL2486074
4-bromo-2-isopropylindan-1-one

MDL Number

MFCD21648619

FAQ

What are the physical and chemical properties of 4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5)?

4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5) is a white crystalline solid with a molecular weight of approximately 254.02 g/mol. It has a low water solubility, with a solubility of about 0.012 g/L at 20°C. It is weakly reactive, showing limited reactivity towards common functional groups under standard conditions. Spectroscopic data such as NMR and IR can be used for identification.

How is 4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5) typically synthesized?

4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5) is typically synthesized through the bromination of 2-isopropyl-1-indanone using N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The reaction is performed in an inert solvent such as dichloromethane or chloroform under UV light or heat. The yield is generally around 70-80%, with good regioselectivity.

What industries use 4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5)?

4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry for modifying polymer properties and in the sensor industry for developing gas sensors. Additionally, it finds applications in the semiconductor industry as a precursor in the production of functional materials.

What precautions should be taken when handling 4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5)?

When handling 4-Bromo-2-isopropyl-1-indanone (CAS: 892575-08-5), ensure to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a well-ventilated area, away from heat and direct sunlight. Use a fume hood during operations to minimize inhalation. In case of spill, clean up with care, following standard hazardous waste disposal procedures. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.