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Name |
2-Propenoic acid,2-methyl-, sodium salt (1:1) |
EINECS | 226-896-5 |
CAS No. | 5536-61-8 | Density | 2,703 g/cm3 |
PSA | 40.13000 | LogP | -0.68760 |
Solubility | Soluble in water. | Melting Point |
300 °C(lit.) |
Formula | C4H5NaO2 | Boiling Point | 160.5 °C at 760 mmHg |
Molecular Weight | 108.072 | Flash Point | 74.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Propenoicacid, 2-methyl-, sodium salt (9CI);Methacrylic acid, sodium salt (8CI);Sodiummethacrylate;2-Propenoic acid, 2-methyl-, sodium salt;2-propenoic acid, 2-methyl-, sodium salt (1:1); |
Article Data | 6 |
The 2-Propenoic acid,2-methyl-, sodium salt (1:1), with the CAS registry number 5536-61-8 and EINECS registry number 226-896-5, has the systematic name of sodium 2-methylprop-2-enoate. It is also called sodium 2-methylprop-2-enoate. And the molecular formula of the chemical is C4H5NaO2.
The characteristics of 2-Propenoic acid,2-methyl-, sodium salt (1:1) are as followings: (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)Flash Point: 74.2 °C; (14)Enthalpy of Vaporization: 43.8 kJ/mol; (15)Boiling Point: 160.5 °C at 760 mmHg; (16)Vapour Pressure: 1.23 mmHg at 25°C.
Uses of 2-Propenoic acid,2-methyl-, sodium salt (1:1): It can react with (1'R,3R,4R)-4-acetoxy-3-{1'-[(tert-butyldimethylsilyl)oxy]ethyl}azetidin-2-one to produce (3R,4R)-3-((1R)-1-tert-butyldimethylsilyloxyethyl)-4-methacryloyloxy-azetidin-2-one. This reaction will need reagent tetrabutylammonium bromide, and the menstruum CH2Cl2. The reaction time is 2 hours with ambient temperature, and the yield is about 74%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the 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