5-Bromo-1,3-dihydroisobenzofuran

Basic Information

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CAS Number

220513-49-5

Molecular Formula

C8H7BrO

Molecular Weight

199.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

257.2℃ at 760 mmHg

Density

1.583

Flash Point

101.866°C

Refractive Index

1.602

SMILES

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C1C2=C(CO1)C=C(C=C2)Br

InChI

InChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2

InChIKey

NZZWXNMQOCNDKD-UHFFFAOYSA-N

LogP

2.4793000000000003

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

126

Synonyms & References

English

5-BROMO-1,3-DIHYDRO-ISOBENZOFURAN
5-bromo-1,3-dihydro-2-benzofuran
5-Bromo-1,3-dihydroisobenzofuran
Isobenzofuran, 5-bromo-1,3-dihydro-
3099AJ
WT81431
SY032751
AM803531
C3159
220513-49-5
VIA51349
SCHEMBL1362239
SB35502
AS-39568
CS-0037778
AKOS005266563
Z1079162022
EN300-128301
DTXSID30681028
MFCD09842490

MDL Number

MFCD09842490

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5)?

5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5) is a crystalline solid with a molecular weight of approximately 210.03 g/mol. It has a low water solubility but is soluble in common organic solvents like dichloromethane and acetonitrile. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions at the bromine substituent.

How is 5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5) typically synthesized?

5-Bromo-1,3-dihydroisobenzofuran is typically synthesized via a bromination reaction of 1,3-dihydroisobenzofuran using bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is carried out under anhydrous conditions to achieve high yield and selectivity.

What industries use 5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5)?

5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5) is used in various industries, including pharmaceuticals, where it serves as a building block for drug synthesis, and in the manufacturing of semiconductors due to its electronic properties. It also finds use in the development of sensors and polymers.

What precautions should be taken when handling 5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5)?

When handling 5-Bromo-1,3-dihydroisobenzofuran (CAS: 220513-49-5), proper personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat should be worn. This compound should be used in a fume hood to minimize exposure. Spills should be handled carefully, and the appropriate safety data sheet (SDS) should be consulted for detailed instructions.