3-Bromobenzo[b]naphtho[2,3-d]furan

Basic Information

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CAS Number

1256544-32-7

Molecular Formula

C16H9BrO

Molecular Weight

297.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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BrC1C=C2OC3=CC4=CC=CC=C4C=C3C2=CC=1

InChI

InChI=1S/C16H9BrO/c17-12-5-6-13-14-7-10-3-1-2-4-11(10)8-15(14)18-16(13)9-12/h1-9H

InChIKey

BBLXKCGFKPLRQK-UHFFFAOYSA-N

LogP

5.501700000000003

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

318

Synonyms & References

English

3-bromo-Benzo[b]naphtho[2,3-d]furan
3-Bromonaphtho[2,3-b]benzofuran
3-bromonaphtho[2,3-b][1]benzofuran

MDL Number

MFCD32012085

FAQ

What are the physical and chemical properties of 3-Bromobenzo[b]naphtho[2,3-d]furan (CAS: 1256544-32-7)?

3-Bromobenzo[b]naphtho[2,3-d]furan is a crystalline solid with a molecular weight of approximately 310.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and tetrahydrofuran. This compound is moderately reactive, particularly towards nucleophilic substitution reactions and can undergo halogenation and oxidation reactions with good yields.

How is 3-Bromobenzo[b]naphtho[2,3-d]furan (CAS: 1256544-32-7) typically synthesized?

3-Bromobenzo[b]naphtho[2,3-d]furan can be synthesized via bromination of benzo[b]naphtho[2,3-d]furan using N-bromosuccinimide (NBS) and benzoyl peroxide as a catalyst in an appropriate solvent. The reaction proceeds via electrophilic aromatic substitution, yielding the desired product with good selectivity and moderate yield.

What industries use 3-Bromobenzo[b]naphtho[2,3-d]furan (CAS: 1256544-32-7)?

3-Bromobenzo[b]naphtho[2,3-d]furan is primarily used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry for modifying polymer properties and in the sensor industry for developing chemical sensors due to its unique reactivity and stability.

What precautions should be taken when handling 3-Bromobenzo[b]naphtho[2,3-d]furan (CAS: 1256544-32-7)?

When handling 3-Bromobenzo[b]naphtho[2,3-d]furan, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. This compound should be used in a fume hood due to its potential volatility and reactivity. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.