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4638-79-3

4638-79-3 structural image
Product Name: 2-Chloroacetophenone
Formula: C8H7ClO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-chloroacetophenone appears as a white crystalline solid. Denser than water and insoluble in water. Hence sinks in water. A lachrymator: vapors are very irritating to the eyes. Has a floral odor. Used as a riot control agent.
Color/Form Crystals from dilute alcohol, carbon tetrachloride, or light petroleum
Odor IN VERY LOW CONCN IN AIR IT HAS AN ODOR RESEMBLING APPLE BLOSSOMS
Boiling Point 441 to 442 °F at 760 mmHg (NTP, 1992)
Melting Point 133.7 °F (NTP, 1992)
Flash Point 244 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 1.32 at 59 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 5.2 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.0054 mmHg at 68 °F (NTP, 1992)
LogP 2.08
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Ionization Potential 9.44 eV
Odor Threshold Odor Threshold Low: 0.01 [mmHg] Odor threshold from NJ "Hazardous Substance Fact Sheet"
Kovats Retention Index 1230 1230 1230.2 1231 1241 1283 1237
Other Experimental Properties MP: 20 °C; BP: 237 °C
Chemical Classes Toxic Gases & Vapors -> Tear Gas Agents

COMPUTED DESCRIPTORS

Molecular Weight 154.59 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 154.0185425 g/mol
Monoisotopic Mass 154.0185425 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 116
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-chloroacetophenone appears as a white crystalline solid. Denser than water and insoluble in water. Hence sinks in water. A lachrymator: vapors are very irritating to the eyes. Has a floral odor. Used as a riot control agent.