1-Benzofuran-3(2H)-one

Basic Information

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CAS Number

7169-34-8

Molecular Formula

C8H6O2

Molecular Weight

134.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Basic Physical Properties

Melting Point

97.0 to 101.0 deg-C

Boiling Point

207.23°C (rough estimate)

Density

1.1603 (rough estimate)

Water Solubility

Slightly miscible with water.

Flash Point

249.643 °C at 760 mmHg

Refractive Index

1.4800 (estimate)

SMILES

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C1C(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2

InChIKey

MGKPCLNUSDGXGT-UHFFFAOYSA-N

LogP

1.2617

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

153

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

Benzofuran-3-one
3-Coumaranone
2,3-dihydro-1-benzofuran-3-one
A837290
MFCD00051810
3(2H)-BENZOFURANONE
Benzofuran-3(2H)-one, >=98.0% (HPLC)
CCRIS 3596
AB02144
DTXSID20221917
7169-34-8
71699-34-8
2H-BEZOFURAN-3-ONE
2,3-DIHYDROBENZOFURAN-3-ONE
benzofuran-3 (2h)-one
CS-W001165
SCHEMBL69412
EN300-49168
3-(2H)-benzo[b]furanone
3-(2H)-benzo[b]-furanone
PB43343
PS-4359
Z57101103
AM20041072
FT-0615540
FT-0694917
Coumaran-3-one
1-benzofuran-3 (2H)-one
3-BENZOFURANONE
Benzofuran-3(2H)-one
KZ7LS8K9LP

MDL Number

MFCD00051810

Customs Code

2932999099

FAQ

What is 1-Benzofuran-3(2H)-one (CAS: 7169-34-8)?

1-Benzofuran-3(2H)-one, also known as benzofuran-3-carboxylic acid, is a heterocyclic compound with the molecular formula C8H6O2. It is a white crystalline solid with a distinctive aroma. It is used in the synthesis of pharmaceuticals, dyes, and fragrances.

What are the main uses of 1-Benzofuran-3(2H)-one (CAS: 7169-34-8)?

1-Benzofuran-3(2H)-one finds applications in the pharmaceutical industry for intermediate steps in drug synthesis, as well as in the production of dyes and fragrances. It is also used in research for its structural properties.

Is 1-Benzofuran-3(2H)-one (CAS: 7169-34-8) safe?

1-Benzofuran-3(2H)-one is considered safe for use in industrial and laboratory settings when handled properly. It is important to follow safety protocols, wear appropriate personal protective equipment, and store it in a well-ventilated area away from heat sources and oxidizers.

How should 1-Benzofuran-3(2H)-one (CAS: 7169-34-8) be stored?

1-Benzofuran-3(2H)-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and protected from moisture. Refrigeration is not generally necessary but can be used for long-term storage if desired.