NITRILOTRIACETIC ACID TRISODIUM SALT MONOHYDRATE

NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-6 ,1977. . Cyanide and its compounds are on the Community Right-To-Know List.

The NTA trisodium salt dihydrate, also known as Glycine, N,N-bis(carboxymethyl)-, trisodium salt, monohydrate, is an organic compound with the formula C₆H₆NO₆·3Na·H₂O. It belongs to the product category of API Intermediates. Its EINECS registry number is 225-768-6. With the CAS registry number 18662-53-8, its IUPAC name is trisodium 2-[bis(carboxylatomethyl)amino]acetate hydrate.

Physical properties of NTA trisodium salt dihydrate: (1)ACD/LogP: -1.76; (2)ACD/LogD (pH 5.5): -6.26; (3)ACD/LogD (pH 7.4): -6.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 255.1 °C; (12)Enthalpy of Vaporization: 83.9 kJ/mol; (13)Boiling Point: 498.2 °C at 760 mmHg; (14)Vapour Pressure: 2.78E-11 mmHg at 25°C.

Uses of NTA trisodium salt dihydrate: In the dye industry is quite good of color fixing agent. In addition, it will play a part of stabilizing agent in the production of phenylethylene; Meanwhile, it can be used as catalysts and complexing agent in production of polyurethane foam.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. There will be a Limited evidence of a carcinogenic effect. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
(3)InChIKey: HERBOKBJKVUALN-UHFFFAOYSA-K

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD691-490,