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534-07-6

534-07-6 structural image
Product Name: 1,3-Dichloroacetone
Formula: C3H4Cl2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,3-dichloroacetone appears as a crystalline solid. Denser than water and insoluble in water. Inhalation of dust or powder may cause adverse health reactions.
Color/Form Prisms or needles
Boiling Point 343 °F at 760 mmHg (EPA, 1998)
Melting Point 113 °F (EPA, 1998)
Solubility > 10% in water
Density 1.3826 at 114.8 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 4.38 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Refractive Index Index of refraction: 1.4716 at 40 °C
Kovats Retention Index 866 870
Other Experimental Properties UV: 1-10 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /1,1-Dichloroacetone/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H314:Skin corrosion/irritation
H341:Germ cell mutagenicity
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
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 126.97 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
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 46.8
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

PRODUCT INTRODUCTION

description

1,3-dichloroacetone appears as a crystalline solid. Denser than water and insoluble in water. Inhalation of dust or powder may cause adverse health reactions.