4-Hydroxycoumarin, 98+%

Description

CAS: 1076-38-6 | C9H6O3 | 162.14 g/mol

4-Hydroxycoumarin is involved in annulation reactions, due to the relatively high acidity of the C-H bond at the 3-position: a three-component reaction with isocyanides and dialkyl acetylene dicarboxylates affords annulated 4H-pyrans.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
4-Hydroxycoumarin is involved in annulation reactions, due to the relatively high acidity of the C-H bond at the 3-position: a three-component reaction with isocyanides and dialkyl acetylene dicarboxylates affords annulated 4H-pyrans.

Solubility
Soluble in ethanol and dimethyl formamide. Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents and strong bases.

Specifications

Chemical Identifiers

• CAS: 1076-38-6
• Molecular Formula: C9H6O3
• Molecular Weight (g/mol): 162.14
• MDL Number: MFCD00006856
• InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N
• Synonym: 4-hydroxycoumarin, 4-coumarinol, 4-hydroxy-2h-chromen-2-one, benzotetronic acid, coumarin, 4-hydroxy, 2h-1-benzopyran-2-one, 4-hydroxy, 4-hydroxy-2h-1-benzopyran-2-one, 4-hydroxy-1-benzopyran-2-one, 4-hydroxy-chromen-2-one, unii-x954zll2rd
• PubChem CID: 54682930
• ChEBI: CHEBI:40070
• IUPAC Name: 4-hydroxychromen-2-one
• SMILES: OC1=CC(=O)C2=CC=CC=C2O1

• Melting Point: ∼213°C (decomposition)
• Odor: Odorless
• Quantity: 500 g
• Beilstein: 129768
• Solubility Information: Soluble in ethanol and dimethyl formamide. Insoluble in water.
• Formula Weight: 162.14
• Percent Purity: ≥98%
• Chemical Name or Material: 4-Hydroxycoumarin

Safety and Handling

Hazard Category	Warning
Hazard Statement	GHS H Statement H302-H315-H319-H335 Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	GHS P Statement P261-P280-P305+P351+P338-P304+P340-P405-P501a Avoid breathing dust/fume/gas/mist/vapors/spray. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.
EINECSNumber	214-060-2
RTECSNumber	DJ3100000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only