3-Chloropropiophenone, 96%

Description

CAS: 936-59-4 | C9H9ClO | 168.62 g/mol

3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads. It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol. It is a precursor of phenyl vinyl ketone.

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
3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads. It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol. It is a precursor of phenyl vinyl ketone.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 936-59-4
• Molecular Formula: C9H9ClO
• Molecular Weight (g/mol): 168.62
• MDL Number: MFCD00000990
• InChI Key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
• Synonym: 3-chloropropiophenone, 1-propanone, 3-chloro-1-phenyl, beta-chloropropiophenone, 2-chloroethyl phenyl ketone, 3-chloropropanophenone, 3-chloro-1-phenyl-1-propanone, propiophenone, 3-chloro, 3-chloro-1-phenyl-propan-1-one, .beta.-chloropropiophenone, .omega.-chloropropiophenone
• PubChem CID: 70295
• IUPAC Name: 3-chloro-1-phenylpropan-1-one
• SMILES: C1=CC=C(C=C1)C(=O)CCCl

• Melting Point: 46°C to 50°C
• Boiling Point: 113°C to 115°C (4 mmHg)
• Flash Point: >110°C (230°F)
• Quantity: 100 g
• Beilstein: 2043580
• Solubility Information: Insoluble in water.
• Formula Weight: 168.62
• Percent Purity: 96%
• Chemical Name or Material: 3-Chloropropiophenone

Safety and Handling

Hazard Category	H315-H319-H335
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	213-317-6
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only