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Glyphosphate-trimesium

Glyphosphate-trimesium structure

CAS No:
81591-81-3
Formula:
C6H16NO5PS
Chemical Name:
Glyphosphate-trimesium
Synonyms:
Sulfosate;Touchdown;Glycine, N-(phosphonomethyl)-, ion(1-), trimethylsulfonium;TRIMETHYLSULPHONIUMCARBOXYMETHYLAMINOMETHYLPHOSPHONATE;glyphosate-trimesium glyphosate-trimethylsulfonium;Glyphosphate-trimesium;Avans 330;Glyphosate trimesium salt
Categories:
Organic Chemistry > Phosphines

Description

Glyphosphate-trimesium, also known as Sulfosate, is the trimethylsulfonium salt of Glyphosate also applied as a nonselective herbicide that was introduced in 1989.

Glyphosphate-trimesium Basic Attributes

Molecular Weight：

245.23

Exact Mass：

245.04900

DSSTox ID：

DTXSID5034939

Color/Form：

Off-White

Characteristics

PSA：

144.80000

XLogP3：

0.11900

Density：

1.27

Boiling Point：

bp760 110°

Flash Point：

235.5ºC

Toxicity：

LD50 in rats, mice (mg/kg): 748, 1383 orally; in rabbits (mg/kg): >2000 dermally; LC50 in rainbow trout (48 hrs): 4800 mg/l (Trouslard)

Henrys Law Constant：

2.3×1010mol/(m3Pa) at 25℃, MacBean (2012)

Safety Information

hazard class code：

Xn,N

safety instructions：

36/37-46-61

Marks：

Xn: Harmful;N: Dangerous for the environment;

Hazard Statements：

22-51/53

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 156 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

glyphosate-trimesium

Glyphosphate-trimesium Use and Manufacturing

Uses

Herbicide.

Production

Glyphosate-trimesium is commercially synthesised by neutralising glyphosate acid with trimethylsulfonium hydroxide. The production process begins with the manufacture of glyphosate acid, typically via the condensation of glycine with formaldehyde and phosphorous acid, followed by oxidation. This glyphosate acid is then reacted with trimethylsulfonium hydroxide in aqueous solution to form the trimesium salt. The reaction is carried out under controlled pH and temperature conditions to ensure complete neutralisation and high purity.

Computed Properties

Molecular Weight:245.24
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:245.04868078
Monoisotopic Mass:245.04868078
Topological Polar Surface Area:111
Heavy Atom Count:14
Complexity:165
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes