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1071-83-6

Basic Information
CAS No.: 1071-83-6
Name: Glyphosate
Article Data: 109
Molecular Structure:
Molecular Structure of 1071-83-6 (Glyphosate)
Formula: C3H8NO5P
Molecular Weight: 169.074
Synonyms: Hockey;Accord;N-(Phosphonomethyl) Glycine;Glyphosphate;Isopropylamine glyphosate;(Carboxymethylamino)methylphosphonic acid;Glyphosate isopropyl amine salt aqueous solution(41%);MON 0573;MON 2139;Glyphosate 95%TC;Water Soluble Glyphosate;Herbatop;Rebel Garden;Glycine, N- (phosphonomethyl)-;Glycine,N-(phosphonomethyl)-;Lancer;Glyphodin A;N-(Phosphonomethyl)glycine;Agrochemicals,Herbicide,Insecticide,Pesticide;Glyphosate acid;Glyphosate tech;glyphsate;Forsat;((phosphonomethyl)amino)acetic acid;Glialka;2-(phosphonomethylamino)acetic acid;N-Glycine;
EINECS: 213-997-4
Density: 1.679 g/cm3
Melting Point: 230 °C
Boiling Point: 465.8 °C at 760 mmHg
Flash Point: 235.5 °C
Solubility: 1.2 g/100 mL in water
Appearance: white powder
Hazard Symbols: IrritantXi,DangerousN,HarmfulXn
Risk Codes: 41-51/53-62-36/37/38-22
Safety: 26-61-2-36/37/39
Transport Information: UN 3077 9/PG 3
PSA: 116.67000
LogP: -0.81330
Synthetic route
52558-39-1

N-benzyl-N-phosphonomethyl-glycine

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal for 45h; Ambient temperature;99%
In ethanol; hydrogen bromide
5994-61-6

phosphonomethylimino-di-acetic acid

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
Calgon CENTAUR 80-100 mesh (149-177 μm) at 95℃; Product distribution / selectivity;98.6%
Norit PK at 95℃; Conversion of starting material;98.3%
Nuchar RGC at 95℃; Conversion of starting material;98.9%
56-40-6

glycine

111727-31-2

methyl (chloromethyl)(trifluoromethyl)phosphinate

A

75-46-7

trifluoromethan

B

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 20℃; Rate constant;A 98%
B 49%
1066-51-9

Aminomethylphosphonic acid

6000-59-5

glyoxalic acid monohydrate

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
96%
In water
60711-71-9

N-<(diethoxyphosphonyl)methyl>glycine ethyl ester

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With bee venom In various solvent(s) at 37℃; for 6h; pH 8.7;95.3%

C3H5Cl2N2OP*H2O4S

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With hydrogenchloride; water for 28h; Reflux;95%
129660-96-4

N-acetylglyphosate

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With hydrogenchloride In water for 72h; pH-value; Time; Reflux;93.8%
64140-94-9

N,N’-bis(phosphonomethyl)-2,5-diketopiperazine

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With hydrogenchloride; water at 165℃; for 6h; Sealed tube;92%
aqueous formylphosphonic acid

aqueous formylphosphonic acid

56-40-6

glycine

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
palladium In water91%

C4H7ClNO4P

1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With water In methanol for 12h; Reflux;90%
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History

Initially patented and sold by Monsanto in the 1970s under the tradename Roundup, its U.S. patent expired in 2000. It is now also available in other formulations, e.g. Resolva 24H, which contains glyphosate and diquat. Glyphosate is the most used herbicide in the USA.In the US, 5-8 million pounds are used every year on lawns and yards and 85-90 million pounds are used annually in US agriculture.
  Glyphosate (CAS NO.1071-83-6) was first discovered to have herbicidal activity in 1970 by John E. Franz, while working for Monsanto. Franz received the National Medal of Technology in 1987,and the Perkin Medal for Applied Chemistry. in 1990 for his discoveries.

Consensus Reports

When Glyphosate (CAS NO.1071-83-6) comes into contact with the soil it can be rapidly bound to soil particles and be inactivated. Unbound glyphosate can be degraded by bacteria.However, glyphosphate has been shown to increase the infection rate of wheat by fusarium head blight in fields that have been treated with glyphosphate.
In soils, half lives vary from as little as 3 days at a site in Texas, 141 days at a site in Iowa, to between 1–3 years in Swedish forest soils.It appears that higher latitude sites have the longest soil persistences such as in Canada and Scandinavia.

Specification

Glyphosate,with the CAS NO.1071-83-6, is an organic solid of odorless white crystals. It is a non-selective herbicide used on many food and non-food crops as well as non-crop areas such as roadsides. Glyphosate comes in many forms, including an acid and several salts. These can be either solids or an amber-colored liquid.

Physical properties about Glyphosate are: (1)ACD/LogP: 0.272; (2)ACD/LogD (pH 5.5): -3.35; (3)ACD/LogD (pH 7.4): -4.13; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 31.051 cm3; (13)Molar Volume: 100.656 cm3; (14)Polarizability: 12.309 10-24cm3; (15)Surface Tension: 86.3440017700195 dyne/cm; (16)Density: 1.68 g/cm3; (17)Flash Point: 235.528 °C; (18)Enthalpy of Vaporization: 79.713 kJ/mol; (19)Boiling Point: 465.835 °C at 760 mmHg

Uses of Glyphosate: Glyphosate is effective in killing a wide variety of plants, including grasses, broadleaf, and woody plants. It has a relatively small effect on some clover species. By volume, it is one of the most widely used herbicides. It is commonly used for agriculture, horticulture, and silviculture purposes, as well as garden maintenance (including home use).

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear eye/face protection;
3. Avoid release to the environment. Refer to special instructions safety data sheet;
4. Keep out of the reach of children;
5. Wear suitable gloves;
6. Wear suitable protective clothing;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9);
(2)InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-N;
(3)SmilesP(=O)(CNCC(=O)O)(O)O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man LDLo oral 2143mg/kg (2143mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: FIBROSIS (INTERSTITIAL)

LUNGS, THORAX, OR RESPIRATION: FIBROSING ALVEOLITIS
Journal of Toxicology, Clinical Toxicology. Vol. 29, Pg. 91, 1991.
 
man TDLo oral 1214mg/kg (1214mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

CARDIAC: CHANGE IN RATE
Human & Experimental Toxicology. Vol. 10, Pg. 103, 1991.
 
mouse LD50 intraperitoneal 130mg/kg (130mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology Letters. Vol. 1000(Sp,
mouse LD50 oral 1568mg/kg (1568mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 45, Pg. 319, 1978.
quail LD50 oral > 4640mg/kg (4640mg/kg)   Pesticide Manual. Vol. 9, Pg. 459, 1991.
rabbit LD50 oral 3800mg/kg (3800mg/kg)   Pesticide & Toxic Chemical News. Vol. 7, Pg. 6, 1978.
rabbit LD50 skin 7940mg/kg (7940mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A222, Pg. 1984,
rat LC50 inhalation > 12200mg/m3/4 (12200mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A222, Pg. 1984,
rat LD50 intraperitoneal 235mg/kg (235mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology Letters. Vol. 1000(Sp,
rat LD50 oral 4873mg/kg (4873mg/kg)   Toxicology and Applied Pharmacology. Vol. 45, Pg. 319, 1978.
rat LD50 oral 4873mg/kg (4873mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toxicology and Applied Pharmacology. Vol. 45, Pg. 319, 1978.
women LDLo oral 4gm/kg (4000mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Journal of Toxicology, Clinical Toxicology. Vol. 29, Pg. 91, 1991.