4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Basic Information

View in Editor

CAS Number

56671-28-4

Molecular Formula

C9H8O4

Molecular Weight

180.16 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

140 °C

Boiling Point

383.5℃/760mmHg

Density

1.406±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

C1CC2=C(C(=O)C1)C(=CO2)C(=O)O

InChI

InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)

InChIKey

FABBWECRHZNMDQ-UHFFFAOYSA-N

LogP

1.4968

Topological Polar Surface Area

67.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

248

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid
3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo-
4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid
4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
4-Oxo-4,5,6,7-tetrahydrocoumarone-3-carboxylic acid
AKOS000267841
J-515910
4-Oxo-4,5,6,7-tetrahydrobenzofuran-3 -carboxylic acid
DTXSID80351926
4-oxo-4,5,6,7tetrahydrobenzo[b]furan-3-carboxylic acid
STK362573
SDCCGMLS-0066243.P001
56671-28-4
F11348
MFCD00052170
FABBWECRHZNMDQ-UHFFFAOYSA-N
HMS563I01
SY045630
Maybridge1_007745
4,5,6,7-tetrahydro-4-oxo-3-benzofurancarboxylic acid
4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Z1201618250
4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid
4-oxo-6,7-dihydro-5H-1-benzouran-3-carboxylic acid
Oprea1_302148
EA-0872
Q27466747
4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylicacid
EN300-243447
SR-01000638746-1

MDL Number

MFCD00052170

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4)?

4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4) is subject to regulations such as the Globally Harmonized System (GHS) which includes health, environmental, and physical hazards. It is also regulated by REACH in the EU, which requires registration of substances above one tonne per year. FDA and EPA regulations may apply for specific uses and formulations in pharmaceuticals and pesticides.

Are there alternatives to 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4) in synthesis?

In synthesis, alternatives to 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid include similar heterocyclic compounds such as 4-hydroxybenzofuran and 2-benzofuranacetic acid. These can be used as functional equivalents in various organic reactions, providing similar chemical properties which can be tailored to specific synthetic needs.

What is the market or research trend for 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4)?

The market for 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4) is driven by its applications in pharmaceuticals, particularly as intermediates for drug synthesis. Research trends focus on its use in developing antiviral and anti-inflammatory drugs. Market demand is expected to grow with increasing pharmaceutical research activities.

How should waste containing 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4) be handled?

Waste containing 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid (CAS: 56671-28-4) should be collected in appropriate containers, labeled with the chemical name and CAS number. It should be disposed of through professional waste disposal services that comply with local regulations. Incineration may be used if hazardous waste criteria are met, with precautions to manage potential emissions. Environmental protection measures should be followed to prevent soil and water contamination.