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115-96-8

115-96-8 structural image
Product Name: Tris(2-chloroethyl) phosphate
Formula: C6H12Cl3O4P
Synonyms: Phosphoric acid tris(2-chloroethyl) ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tris(2-chloroethyl) phosphate is an odorless clear liquid. Neutral pH. (NTP, 1992)
Color/Form Clear, transparent liquid
Odor Low odor
Boiling Point 626 °F at 760 mmHg (NTP, 1992)
Melting Point less than -76 °F (NTP, 1992)
Flash Point 450 °F (NTP, 1992)
Solubility 1 to 5 mg/mL at 68 °F (NTP, 1992)
Density 1.425 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density Relative vapor density (air = 1): 9.8
Vapor Pressure 0.5 mmHg at 293 °F (NTP, 1992)
LogP log Kow = 1.78
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 1115 °F (NTP, 1992)
Decomposition When heated to decomposition it emits very toxic fumes of POx /phosphorous oxides/ and Cl- /chlorides/.
Viscosity 45 cP at 20 °C
Refractive Index Index of refraction: 1.4721 at 20 °C/D
Collision Cross Section 161.39 Ų [M+Na]+ 151.31 Ų [M+H]+
Kovats Retention Index 1740 1740 1740 1747.2 295.96
Other Experimental Properties 11.65 mg/cu m equivalent to 1 ppm (w/v conversion factor)
Chemical Classes Pesticides -> Organophosphate Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H351:Carcinogenicity
H360:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 285.5 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 283.953879 g/mol
Monoisotopic Mass 283.953879 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 152
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

Tris(2-chloroethyl) phosphate is an odorless clear liquid. Neutral pH. (NTP, 1992)