1,3-Dichloroacetone, 96%

Description

CAS: 534-07-6 | C3H4Cl2O | 126.96 g/mol

1,3-Dichloroacetone is used in the synthesis of citric acid. It is used as a solvent and as an intermediate in organic synthesis. Further, it serves as an acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone. It is also used in the preparation of an active pharmaceutical ingredient, famotidine.

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
1,3-Dichloroacetone is used in the synthesis of citric acid. It is used as a solvent and as an intermediate in organic synthesis. Further, it serves as an acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone. It is also used in the preparation of an active pharmaceutical ingredient, famotidine.

Solubility
Soluble in water, ethanol and diethyl ether.

Notes
Hygroscopic. Store in a cool place. Incompatible with strong oxidizing agents, strong bases and reducing agents.

Specifications

Chemical Identifiers

• CAS: 534-07-6
• Molecular Formula: C3H4Cl2O
• Molecular Weight (g/mol): 126.96
• MDL Number: MFCD00000937
• InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N
• Synonym: 1,3-dichloroacetone, 1,3-dichloro-2-propanone, 1,3-dichloropropanone, s-dichloroacetone, sym-dichloroacetone, bis chloromethyl ketone, 2-propanone, 1,3-dichloro, acetone, 1,3-dichloro, chloromethyl ketone
• PubChem CID: 10793
• IUPAC Name: 1,3-dichloropropan-2-one
• SMILES: ClCC(=O)CCl

• Melting Point: 40°C to 44°C
• Density: 1.383
• pH: 4.2
• Boiling Point: 172°C to 173°C
• Flash Point: 95°C (203°F)
• Odor: Pungent
• Refractive Index: 1.44
• Quantity: 25 g
• UN Number: UN2649
• Beilstein: 605456
• Merck Index: 14,3052
• Solubility Information: Soluble in water,ethanol and diethyl ether.
• Formula Weight: 126.97
• Percent Purity: 96%
• Chemical Name or Material: 1,3-Dichloroacetone

Safety and Handling

Hazard Category	H300+H310+H330-H314-H335-H340
Hazard Statement	GHS H Statement H300-H310-H330-H314-H318-H341 Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Suspected of causing genetic defects.
Precautionary Statement	P201-P202-P260-P262-P264b-P270-P271-P281-P284-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: 1,3-DICHLOROACETONE
EINECSNumber	208-585-6
RTECSNumber	UC1430000
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only