7-bromo-1H-indene

Basic Information

View in Editor

CAS Number

16657-07-1

Molecular Formula

C9H7Br

Molecular Weight

195.06 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

257.0±29.0 ºC (760 Torr),

Refractive Index

n20/D 1.610

SMILES

View in Editor

Brc1cccc2C=CCc21

InChI

InChI=1S/C9H7Br/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2

InChIKey

JTRQKQGKIYROIO-UHFFFAOYSA-N

LogP

3.0184000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

151

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

7-Bromo-1H-indene
1H-Indene, 7-bromo-
AK121794
7-bromoindene
4-bromo-3H-indene
JTRQKQGKIYROIO-UHFFFAOYSA-N
TRA0058828
FCH1139313
SY022538
BC600259
AB0005377
ST2406546

MDL Number

MFCD16652275

FAQ

What are the physical and chemical properties of 7-bromo-1H-indene (CAS: 16657-07-1)?

7-Bromo-1H-indene (CAS: 16657-07-1) is a crystalline compound with a molecular weight of approximately 187.03 g/mol. It has limited solubility in water but is more soluble in organic solvents like dichloromethane and benzene. It exhibits typical reactivity for a substituted aromatic compound, showing basic properties with strong acids and acidic properties with strong bases. It is stable under normal laboratory conditions but should be stored in a dry place to prevent degradation.

How is 7-bromo-1H-indene (CAS: 16657-07-1) typically synthesized?

7-Bromo-1H-indene is typically synthesized through bromination of 1H-indene in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction involves the electrophilic bromination of the indene ring, followed by quenching with a base. The yield can vary depending on the conditions, but a yield of about 80% can be achieved under optimal conditions. The reaction is exothermic, so temperature control is important.

What industries use 7-bromo-1H-indene (CAS: 16657-07-1)?

7-Bromo-1H-indene (CAS: 16657-07-1) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drug candidates. It also finds applications in the polymer industry for developing functionalized polymers. Additionally, it is used in the semiconductor industry for the production of organic semiconductors and sensors due to its aromatic and brominated properties.

What precautions should be taken when handling 7-bromo-1H-indene (CAS: 16657-07-1)?

When handling 7-bromo-1H-indene (CAS: 16657-07-1), one should wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood due to its potential for inhalation hazards. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.