CAS No.2439-99-8,Glyphosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2439-99-8
Name:	Glyphosine
Article Data:	17

Formula:	C₄H₁₁NO₈P₂
Molecular Weight:	263.081
Synonyms:	C 9552;CP41845;Glycine-N,N-bis(methylenephosphonic acid);Glycinedimethanephosphonicacid;Glyphosine;MON 845;MON-O45;N,N-Bis(phosphonomethyl)aminoacetic;N,N-Bis(phosphonomethyl)aminoacetic acid;N,N-Bis(phosphonomethyl)glycine;N,N-Di(phosphonomethyl)glycine;NSC 18468;Nitrilomonoacetic aciddimethylenephosphonic acid;Nitrilomonomethylcarbonyldimethylphosphonic acid;Polaris;Polaris (ripening agent);
EINECS:	219-468-4
Density:	1.952 g/cm³
Melting Point:	263 °C
Boiling Point:	668.4 °C at 760 mmHg
Flash Point:	358 °C
Solubility:	freely soluble in water
Appearance:	white to light yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-2
Transport Information:	UN 3261 8/PG 3
PSA:	175.22000
LogP:	-1.35660

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Reported in EPA TSCA Inventory.

Specification

The CAS register number of Glyphosine is 2439-99-8. It also can be called as N,N-Bis(phosphonomethyl)glycine and the IUPAC name about this chemical is 2-[bis(phosphonomethyl)amino]acetic acid. The molecular formula about this chemical is C₄H₁₁NO₈P₂and the molecular weight is 263.08. It belongs to the following product categories, such as Plant Growth Regulator; Analytical Chemistry; Chelating Reagents; Complexones; Edta Analogs and so on. This chemical is used as a plant growth regulator.The main purpose is to ripening and to increase sugar of cane and beet sugar. It is the first commercial sugar cane ripening agent in American, and was improved into the market in 1972. This chemical can be produced by the reaction of glycine, formaldehyde and phosphorus trichloride at 110 ℃.

Physical properties about Glyphosine are: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.92; (4)ACD/LogD (pH 7.4): -9.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 120.22Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 45.75 cm³; (15)Molar Volume: 134.7 cm³; (16)Polarizability: 18.13x10^-24cm³; (17)Surface Tension: 124.2 dyne/cm; (18)Enthalpy of Vaporization: 107.1 kJ/mol; (19)Boiling Point: 668.4 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-19 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetic acid and P,P'-(2-aza-propane-1,3-diyl)-bis-phosphonic acid. This reaction will need reagent H₂O. The yield is about 60%.

Uses of Glyphosine: it can be used to produce methylaminomethyl-phosphonic acid at temperature of 70 ℃. This reaction will need reagent 17percent nitric acid and solvent H₂O with reaction time of 1 hours. The yield is about 32%.

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to the eyes. When you are using it, you need keep out of the reach of children. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)CN(CP(=O)(O)O)CC(=O)O
(2)InChI: InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
(3)InChIKey: OXHDYFKENBXUEM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
(5)Std. InChIKey: OXHDYFKENBXUEM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3925mg/kg (3925mg/kg)		"Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 3, Pg. 60, 1976/1977.