3-Chloropropiophenone

Basic Information

View in Editor

CAS Number

936-59-4

Molecular Formula

C9H9ClO

Molecular Weight

168.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

46.0 to 50.0 deg-C

Boiling Point

147°C/14mmHg

Density

1.1115 (rough estimate)

Refractive Index

1.5350 (estimate)

SMILES

View in Editor

C1=CC=C(C=C1)C(=O)CCCl

InChI

InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

KTJRGPZVSKWRTJ-UHFFFAOYSA-N

LogP

2.4982000000000006

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

128

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Synonyms & References

English

3-Chloro-1-phenylpropan-1-one
3-CHLORO-1-OXO-1-PHENYLPROPANE
3-CHLORO-1-PHENYL-1-PROPANONE
B-CHLOROPROPIOPHENONE
BETA-CHLOROPROPIOPHENONE
2-Chloroethyl phenyl ketone
3-chloro-1-phenyl-1-propanon
3-Chloropropanophenone
beta-Chloroethyl phenyl ketone
omega-Chloropropiophenone
Propiophenone, 3-chloro-
-Chloro-Phenyl-1-Propanone
á-chloropropiophenone
SS-CHLORO -PHENYL-1-PROPANONE
3-Chloropropiophenone
2-Chloro-1-benzoylethane
3-chloro-1-phenyl-propan-1-one
PhCOCH2CH2Cl
Propiophenone,3-chloro
3-Chloro-1-phenyl-1-propanone (ACI)
Propiophenone, 3-chloro- (7CI, 8CI)
1-Phenyl-3-chloro-1-propanone
NSC 227202
NSC 37238
β-Chloroethyl phenyl ketone
β-Chloropropanophenone
β-Chloropropiophenone
ω-Chloropropiophenone
3-Chloro-1-phenyl-1-propanone
beta-Chloropropiophenone
beta-chloroethyl-phenyl ketone

MDL Number

MFCD00000990

Customs Code

2914700090

FAQ

What is 3-Chloropropiophenone (CAS: 936-59-4)?

3-Chloropropiophenone (CAS: 936-59-4) is an organic compound with the chemical formula C9H9ClO. It is a colorless liquid with a sweet, ether-like odor, commonly used as an acyl chloride. The compound exhibits reactivity with water and amines, and its structure includes a chloro group attached to the propiophenone backbone.

What are the main uses of 3-Chloropropiophenone (CAS: 936-59-4)?

3-Chloropropiophenone (CAS: 936-59-4) serves as a key intermediate in pharmaceutical synthesis, particularly for anticholinesterase drugs. It is also utilized in pesticide production, organic research, and industrial applications. Its reactivity makes it valuable for creating derivatives in chemical manufacturing processes.

Is 3-Chloropropiophenone (CAS: 936-59-4) safe?

3-Chloropropiophenone (CAS: 936-59-4) is toxic and requires careful handling. It may cause skin irritation, respiratory issues, and eye damage upon exposure. Safety measures include using personal protective equipment (PPE), ensuring proper ventilation, and adhering to OSHA guidelines. It is a regulated substance due to its potential for misuse and environmental impact.

How should 3-Chloropropiophenone (CAS: 936-59-4) be stored?

3-Chloropropiophenone (CAS: 936-59-4) should be stored in a sealed, cool (below 25°C), and dry container, away from light. It is hygroscopic and reactive to moisture, so desiccants and inert gas (e.g., nitrogen) may be used. Avoid storage near incompatible materials like amines or water, and ensure proper labeling for safe handling.