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71-55-6

71-55-6 structural image
Product Name: 1,1,1-Trichloroethane
Formula: C2H3Cl3
Synonyms: 1,1,1-Trichloroethane in dimethyl sulfoxide;1,1,1-Trichloroethane solution;Methyl chloroform
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,1,1-trichloroethane appears as a colorless liquid with a sweet, pleasant odor. May irritate skin, eyes and mucous membranes. In high concentrations the vapors may have a narcotic effect. Nonflammable, but may decompose and emit toxic chloride fumes if exposed to high temperatures. Used as a solvent.
Color/Form Colorless liquid
Odor ... Mild chloroform-like odor
Boiling Point 165.4 °F at 760 mmHg (NTP, 1992)
Melting Point -26.5 °F (NTP, 1992)
Flash Point greater than 200 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 4.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 100 mmHg at 68 °F ; 125 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 2.49
Henry's Law Constant Henry's Law constant = 0.0163 atm-cu m/mole at 25 °C
Autoignition Temperature 932 °F (USCG, 1999)
Decomposition When heated to decomposition, it emits irritating gases and toxic fumes of carbon monoxide, carbon dioxide, hydrogen chloride gas, chlorine, and phosgene.
Viscosity 0.00086 Pa.s at 20 °C
Corrosivity Readily corrodes aluminum and aluminum alloys
Heat of Combustion 4700 BTU/LB= 2600 CAL/G= 110X10+5 J/KG
Heat of Vaporization 32.50 kJ/mol at 25 °C
Surface Tension 0.02518 N/m at 25 °C
Ionization Potential 11.00 eV
Odor Threshold Odor Threshold Low: 16.0 [mmHg] Odor Threshold High: 714.0 [mmHg] Detection odor threshold from AIHA (mean = 390 ppm)
Refractive Index Index of refraction: 1.4711 at 20 °C/D
Relative Evaporation Rate 12.8 (Butyl acetate = 1)
Kovats Retention Index 623.5 628 628.6 660 637 637 639 637 640 646 651 650 636 634.6 641 630.7 625.98 636 639 634 634 635.6 639 626 626 634 634 639 621 629 628 634.5 632 650 634 630
Other Experimental Properties Percent in saturated air: 16.7 at 25 °C
Chemical Classes Solvents -> Chlorinated Aliphatics

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H420:Hazardous to the ozone layer
Precautionary Statement Codes P502:Refer to manufacturer/supplier for information on recovery/recycling

COMPUTED DESCRIPTORS

Molecular Weight 133.40 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 131.930033 g/mol
Monoisotopic Mass 131.930033 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 26.4
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

1,1,1-Trichloroethane is a synthetic chemical that does not occur naturally in the environment. It also is known as methylchloroform, methyltrichloromethane, trichloromethylmethane, and trichloromethane. Its registered trade names are chloroethene NU® and Aerothene TT®.