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75-87-6

75-87-6 structural image
Product Name: Chloral
Formula: C2HCl3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Trichloroacetaldehyde appears as a colorless oily liquid with a penetrating odor. Reacts with water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion and inhalation. Used to make pesticides.
Color/Form Colorless, mobile, oily liquid
Odor Pungent, irritating odor
Boiling Point 208 °F at 760 mmHg (NTP, 1992)
Melting Point -71.5 °F (NTP, 1992)
Flash Point 167 °F (NTP, 1992)
Solubility Reaction (NTP, 1992)
Density 1.51 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 5.1 (Air = 1)
Vapor Pressure 35 mmHg at 68 °F ; 40 mmHg at 68.4 °F; 760 mmHg at 207.9 °F (NTP, 1992)
Henry's Law Constant Henry's Law constant = 2.91X10-9 atm-cu m/mol at 25 °C
Stability/Shelf Life UNSTABLE
Heat of Vaporization 97.1 BTU/Lb
Polymerization POLYMERIZES UNDER INFLUENCE OF LIGHT & IN PRESENCE OF SULFURIC ACID FORMING WHITE SOLID TRIMER CALLED METACHLORAL.
Refractive Index Index of refraction = 1.45572 at 20 °C/D; 1.4512 at 21.4 °C/He
Dissociation Constants pKa = 9.66
Kovats Retention Index 715 695 699.1
Other Experimental Properties Conversion factor: mg/cu m = 6.03 X ppm
Chemical Classes Other Classes -> Aldehydes

COMPUTED DESCRIPTORS

Molecular Weight 147.38 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 145.909298 g/mol
Monoisotopic Mass 145.909298 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 54.3
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

Trichloroacetaldehyde appears as a colorless oily liquid with a penetrating odor. Reacts with water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion and inhalation. Used to make pesticides.