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Sodium polymethacrylate (54193-36-1)

Identification
Name:Sodium polymethacrylate
Synonyms:Poly(methacrylic acid, sodium salt) solution; Poly(methacrylate sodium) (solid)
CAS:54193-36-1
EINECS: 226-896-5
Molecular Formula: (C4H6O2)x?xNa
Molecular Weight: 108.072
InChI: InChI=1/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
Molecular Structure: ((C4H6O2)x?xNa) Poly(methacrylic acid, sodium salt) solution; Poly(methacrylate sodium) (solid)
Properties
Flash Point: 74.2°C
Boiling Point: 160.5°Cat760mmHg
Density:1.023g/cm3
Stability:Stable. Incompatible with strong oxidizing agents.
Refractive index:n20/D 1.401
Solubility:Soluble in water
Appearance:solid
Specification:

The Sodium polymethacrylate with cas registry number of 54193-36-1, belongs to the following product categories: (1)Polymers; (2)Acrylics; (3)Hydrophilic Polymers; (4)Methacrylate, Ethacrylate, and Related Polymers. Its systematic name and IUPAC name are the same, which is sodium 2-methylprop-2-enoate.

Physical properties about this chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Enthalpy of Vaporization: 43.8 kJ/mol; (14)Vapour Pressure: 1.23 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Sodium polymethacrylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: [Na+].[O-]C(=O)\C(=C)C;
(2)InChI: InChI=1/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1;
(3)InChIKey: SONHXMAHPHADTF-REWHXWOFAM;
(4)Std. InChI: InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1;
(5)Std. InChIKey: SONHXMAHPHADTF-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 146, 1984.
mouse LD50 intravenous 250mg/kg (250mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1409, 1986.

Flash Point: 74.2°C
Safety Data