6-Bromo-1-indanecarbonitrile

Basic Information

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CAS Number

783335-58-0

Molecular Formula

C10H8BrN

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CC2=C(C1C#N)C=C(C=C2)Br

InChI

InChI=1S/C10H8BrN/c11-9-4-3-7-1-2-8(6-12)10(7)5-9/h3-5,8H,1-2H2

InChIKey

QGGQTBOUQXJQHA-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

217

Synonyms & References

English

783335-58-0
6-Bromo-2 pound not3-dihydro-1H-indene-1-carbonitrile
MFCD11219697
DS-9864
AMY13979
A865050
AKOS026670177
6-Bromo-2,3-Dihydro-1h-indene-1-carbonitrile
FT-0759299
SCHEMBL23704849
DTXSID10733736
6-BROMO-2,3-DIHYDRO-1H-INDENE-1-CARBONITRILE
AK188010
PubChem23087
FCH1403442
BC004871
6-bromoindane-1-carbonitrile

MDL Number

MFCD11219697

FAQ

What are the physical and chemical properties of 6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0)?

6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0) is a crystalline solid with a molecular weight of approximately 228.04 g/mol. It has a low solubility in water but is soluble in organic solvents like acetone and dichloromethane. The compound is moderately reactive, particularly towards nucleophilic substitution reactions. It displays weak basicity and can undergo ring-opening reactions under certain conditions.

How is 6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0) typically synthesized?

6-Bromo-1-indanecarbonitrile is typically synthesized through the bromination of 1-indanecarbonitrile using N-bromosuccinimide (NBS) as a brominating agent in the presence of a photoinitiator. The reaction occurs under UV light, providing good yields and selectivity. Other methods involve using phosphorus oxybromide (POBr3) or other brominating reagents under different reaction conditions.

What industries use 6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0)?

6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0) is primarily used in the pharmaceutical and fine chemical industries for the synthesis of intermediates. It also finds applications in polymer science, where it can be used as a monomer or additive, and in sensor technology due to its reactivity and stability.

What precautions should be taken when handling 6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0)?

Handling 6-Bromo-1-indanecarbonitrile (CAS: 783335-58-0) requires appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood during handling to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and rinsed with water. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and safety procedures.