5-Bromo-1-indanone

Basic Information

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CAS Number

34598-49-7

Molecular Formula

C9H7BrO

Molecular Weight

211.06 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

124.0 to 129.0 deg-C

Boiling Point

303.7°C at 760 mmHg

Flash Point

120.2℃

Refractive Index

1.5720 (estimate)

SMILES

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

InChI

InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

InChIKey

KSONICAHAPRCMV-UHFFFAOYSA-N

LogP

2.578000000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

178

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PB48767
34598-49-7
5-Bromo-2,3-dihydro-1H-inden-1-one
FS-1029
EN300-31220
1H-Inden-1-one, 5-bromo-2,3-dihydro-
MFCD00082718
FT-0655497
5-Bromo-1-indanone, 97%
SY001016
F8889-9239
DTXSID40334432
SCHEMBL27039
AM20040227
5-Bromoindanone
FT-0602786
5-bromo-1-oxoindane
CHEMBL3092387
5-bromo-indan-1-one
AC-172
5-bromo-indanone
5-Bromoindan-1-one;5-Bromo-1-indanone
Z318770638
5-bromoindan-1-one
InChI=1/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H
5-Bromo-1-indanone
HY-40190
5-bromo-2,3-dihydroinden-1-one
A822312
BCP04452
B2342

MDL Number

MFCD00082718

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 5-Bromo-1-indanone (CAS: 34598-49-7)?

5-Bromo-1-indanone is a crystalline compound with a molecular weight of approximately 225.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and chloroform. Chemically, it is reactive towards nucleophiles, making it useful in various synthetic transformations. It has a melting point of about 85-87°C and is known for its stability under room temperature conditions.

How is 5-Bromo-1-indanone (CAS: 34598-49-7) typically synthesized?

5-Bromo-1-indanone is commonly synthesized via the bromination of 1-indanone. This process often involves using bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction typically provides a yield of around 80-85%, with good selectivity towards the brominated product.

What industries use 5-Bromo-1-indanone (CAS: 34598-49-7)?

5-Bromo-1-indanone is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also has applications in the polymer industry for modifying polymer properties. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical reactivity and stability.

What precautions should be taken when handling 5-Bromo-1-indanone (CAS: 34598-49-7)?

Proper handling of 5-Bromo-1-indanone requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be cleaned up using appropriate absorbents and disposed of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.