3-Bromodibenzo[b,d]furan

Basic Information

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CAS Number

26608-06-0

Molecular Formula

C12H7BrO

Molecular Weight

247.09 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

Melting Point

121.0 to 125.0 deg-C

Solubility

Insuluble (1.3E-4 g/L) (25 ºC),

Refractive Index

1.5290 (estimate)

SMILES

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C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Br

InChI

InChI=1S/C12H7BrO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H

InChIKey

AZFABGHLDGJASW-UHFFFAOYSA-N

LogP

4.348500000000002

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

218

Synonyms & References

English

DS-6885
MFCD09966042
SCHEMBL259160
NSC167387
DTXSID30304801
AKOS016012317
AMY8885
3-bromodibenzo[b,d]furan
A854373
NSC-167387
3-bromodibenzofuran
BCP15893
SB66940
3-bromo-dibenzofuran
Dibenzofuran, 3-bromo-
B5451
26608-06-0
CS-D0380
FT-0696916
3-Bromodibenzo[b,d]furan;3-bromo-Dibenzofuran,
SY069415
3-Bromodibenzo[b,d]furan
3-Bromodibenzofuran
3-bromo-Dibenzofuran
2-Brom-dibenzofuran
3-Brom-dibenzofuran
3-Brom-diphenylenoxid
Dibenzofuran,3-bromo
NSC 167387
AZFABGHLDGJASW-UHFFFAOYSA-N
SBB100217

MDL Number

MFCD09966042

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 3-Bromodibenzo[b,d]furan (CAS: 26608-06-0)?

3-Bromodibenzo[b,d]furan (CAS: 26608-06-0) is a crystalline compound with a molecular weight of approximately 256.03 g/mol. It is poorly soluble in water but soluble in common organic solvents such as dichloromethane and ethanol. This compound is highly reactive towards nucleophiles due to the presence of the bromine substituent and undergoes electrophilic aromatic substitution reactions easily.

How is 3-Bromodibenzo[b,d]furan (CAS: 26608-06-0) typically synthesized?

3-Bromodibenzo[b,d]furan can be synthesized via bromination of dibenzo[b,d]furan using bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. This method provides good yield and selectivity. The reaction is typically performed under anhydrous conditions to prevent side reactions.

What industries use 3-Bromodibenzo[b,d]furan (CAS: 26608-06-0)?

3-Bromodibenzo[b,d]furan (CAS: 26608-06-0) is primarily used in pharmaceuticals, where it serves as a precursor for the synthesis of various bioactive compounds. It is also utilized in the production of certain types of polymers, sensors, and as a reagent in organic synthesis.

What precautions should be taken when handling 3-Bromodibenzo[b,d]furan (CAS: 26608-06-0)?

When handling 3-Bromodibenzo[b,d]furan (CAS: 26608-06-0), it is crucial to wear appropriate personal protective equipment (PPE), including gloves and eye protection. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and proper disposal procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.