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78-95-5

78-95-5 structural image
Product Name: Chloroacetone
Formula: C3H5ClO
Synonyms: 1-Chloro-2-propanone;1-Chloropropan-2-one;Chloro-2-propanone;Chloroacetone;MCA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Chloroacetone, stabilized appears as a yellow-colored liquid with an irritating pungent odor. Light sensitive, but stabilized with the addition of small amounts of water and/or calcium carbonate. Slightly soluble in water and denser than water. Vapors much heavier than air. Irritates skin and eyes. Very toxic by ingestion or inhalation. Used to make other chemicals. A lachrymator.
Color/Form Liquid
Odor Pungent odor
Boiling Point 248 °F (120 ° C)
Melting Point -44.5 °C
Flash Point 82 °F
Solubility Miscible with alcohol, ether and chloroform. Soluble in 10 parts water (wet weight)
Density 1.15 g/cu cm at 20 °C
Vapor Density Relative vapor density (air = 1): 3.2
Vapor Pressure 12.0 [mmHg]
LogP 0.28
Henry's Law Constant Henry's Law constant = 1.65X10-5 atm-cu m/mole at 25 °C
Stability/Shelf Life Turns dark and resinifies on prolonged exposue to light, may be stabilized by 0.1% water or 1.0% calcium carbonate.
Autoignition Temperature 610 °C
Decomposition When heated to decomposition it emits highly toxic fumes.
Surface Tension 35.27 dynes/cm at 20 °C
Polymerization The substance will polymerize slowly under the influence of light with fire or explosion hazard.
Odor Threshold Odor Threshold Low: 0.02 [mmHg] Odor Threshold High: 0.39 [mmHg] Odor threshold from CHEMINFO
Kovats Retention Index 677 675 675 653 626.4 627
Other Experimental Properties Dipole moment: 2.36 debyes in hexane
Chemical Classes Other Classes -> Halogenated Ketones

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 92.52 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 92.0028925 g/mol
Monoisotopic Mass 92.0028925 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 42.2
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

Chloroacetone, stabilized appears as a yellow-colored liquid with an irritating pungent odor. Light sensitive, but stabilized with the addition of small amounts of water and/or calcium carbonate. Slightly soluble in water and denser than water. Vapors much heavier than air. Irritates skin and eyes. Very toxic by ingestion or inhalation. Used to make other chemicals. A lachrymator.