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52-68-6

52-68-6 structural image
Product Name: Trichlorfon
Formula: C4H8Cl3O4P
Synonyms: (2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid dimethyl ester;Metrifonate;Trichlorfon
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Trichlorfon is a white crystalline solid. It is a wettable powder. It can cause illness by inhalation, skin absorption and/or ingestion. It is used as a pesticide.
Color/Form White crystals
Odor Ethyl ether-like
Boiling Point 212 °F at 0.1 mmHg (NTP, 1992)
Melting Point 181 to 183 °F (NTP, 1992)
Solubility 10 to 50 mg/mL at 70 °F (NTP, 1992)
Density 1.73 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Pressure 7.8e-06 mmHg at 68 °F (NTP, 1992)
LogP log Kow = 0.51
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Decomposed by alkali.
Corrosivity Corrosive to metals
Refractive Index Index of refraction = 1.3439 at 20 °C/D
Collision Cross Section 136.12 Ų [M+H]+ [CCS Type: TW]
Kovats Retention Index 1402 1431 1453 1419.2 1448.3
Other Experimental Properties Decomposed by alkali
Chemical Classes Pesticides -> Organophosphate Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H334:Sensitisation, respiratory
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 257.43 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 255.922579 g/mol
Monoisotopic Mass 255.922579 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 183
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trichlorfon is a white crystalline solid. It is a wettable powder. It can cause illness by inhalation, skin absorption and/or ingestion. It is used as a pesticide.