3-Bromo-2-benzofuran-1(3H)-one

Basic Information

View in Editor

CAS Number

6940-49-4

Molecular Formula

C8H5BrO2

Molecular Weight

213.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83.0 to 87.0 deg-C

Boiling Point

138°C/3mmHg

Density

1.768

Flash Point

139.4 °C

Refractive Index

1.639?

SMILES

View in Editor

C1=CC=C2C(=C1)C(OC2=O)Br

InChI

InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H

InChIKey

CLMSHAWYULIVFQ-UHFFFAOYSA-N

LogP

2.2505000000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

181

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-bromo-1-isobenzofuranone
bromophthalide
3-Bromo-1(3H)-isobenzofuranone
3-bromo-3H-isobenzofuran-1-one
(+/-)-3-Bromo-1(3H)-isobenzofuranone
EN300-7361158
3-bromoisobenzofuran-1(3H)-one
MFCD00040520
B1068
3-bromo-2-benzofuran-1(3H)-one
1(3H)-Isobenzofuranone, bromo-
3-Bromophthalide
W-104627
Phthalidyl bromide
3-bromophthalid
1(3H)-Isobenzofuranone, 3-bromo-
3-bromo-1,3-dihydro-2-benzofuran-1-one
SY036169
NSC-60137
2-Bromophthalide
3-bromo phthalide
A19065
SCHEMBL12991705
3-bromo-3H-2-benzofuran-1-one
(1-Methyl-1H-benzoimidazol-2-yl)aceticacidethylester
AC7915
AKOS016842775
AMY30555
SCHEMBL304982
(+/-)-3-Bromophthalide
AS-14530

MDL Number

MFCD00040520

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4)?

3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4) is a crystalline compound with a molecular weight of approximately 211.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, especially towards nucleophiles and reducing agents. It can undergo bromination, acetylation, and other electrophilic aromatic substitution reactions.

How is 3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4) typically synthesized?

3-Bromo-2-benzofuran-1(3H)-one is commonly synthesized via bromination of 2-benzofuran-1(3H)-one. The synthesis typically involves treating the starting material with bromine in the presence of a base like sodium hydroxide. The reaction yields a mixture that can be purified by recrystallization or chromatography.

What industries use 3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4)?

3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for additive formulations, and in the electronic industry for the development of sensors and semiconductors. Its unique chemical structure makes it valuable for these applications.

What precautions should be taken when handling 3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4)?

When handling 3-Bromo-2-benzofuran-1(3H)-one (CAS: 6940-49-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its volatility and potential reactivity. In case of a spill, immediately neutralize the area with water and clean up using appropriate chemical absorbents. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.