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513-88-2

513-88-2 structural image
Product Name: 1,1-Dichloroacetone
Formula: C3H4Cl2O
Synonyms: 1,1-Dichloroacetone
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 120 °C
Solubility Sol in ethyl alcohol; miscible in ethyl ether
Density 1.304 g/cu cm at 18 °C
Vapor Pressure 27 mm Hg at 25 °C
Decomposition When heated to decomposition it emits toxic vapors of /hydrogen chloride/.
Kovats Retention Index 707.2 714 709.7 705 707
Other Experimental Properties Boiling with sodium carbonate gives acrylic acid

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06
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
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 126.97 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 125.9639201 g/mol
Monoisotopic Mass 125.9639201 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 59.8
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