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CAS No.: | 512-42-5 |
---|---|
Name: | Sodium methyl sulfate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | CH4O4S.Na |
Molecular Weight: | 134.088 |
Synonyms: | Sulfuric acid, monomethyl ester, sodium salt(8CI,9CI);Methyl sulfate sodium salt;Sodium methyl sulfate;Sodiummonomethylsulfate;Methylsodium sulfate (6CI,7CI); |
EINECS: | 208-142-7 |
Density: | 1.602g/cm3 |
Melting Point: | 210 °C(lit.) |
Solubility: | soluble |
Appearance: | White powder |
Hazard Symbols: | Xn; T |
Risk Codes: | 20/22-37/38-45-36/37/38 |
Safety: | 23-45-53-36/37/39-26 |
PSA: | 74.81000 |
LogP: | 0.17380 |
Conditions | Yield |
---|---|
Stage #1: p-cresol With sodium hydroxide In ethanol at 35℃; for 1h; Inert atmosphere; Cooling with ice; Stage #2: dimethyl sulfate In cyclohexane at 40℃; Solvent; Reflux; | A 97% B 50.8 g |
Conditions | Yield |
---|---|
With sodium hydroxide In water at 70℃; for 0.25h; Reagent/catalyst; Solvent; Temperature; | 61% |
With sodium ethanolate In ethanol for 0.5h; |
Conditions | Yield |
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In methanol Kinetics; equilibrium reaction;; | |
In methanol Kinetics; equilibrium reaction;; |
Conditions | Yield |
---|---|
In methanol | |
In methanol |
Conditions | Yield |
---|---|
In acetonitrile | 99% |
Conditions | Yield |
---|---|
In acetonitrile | 99% |
bis(dimethylamino)dichloromethane
sodium methyl sulfate
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 5h; | 98.3% |
2,2-dichloro-1,3-dimethylimidazolidine
sodium methyl sulfate
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 5h; | 94.2% |
Conditions | Yield |
---|---|
Stage #1: 1-Chlorohexane; C13H20N2O2 for 168h; Heating; Stage #2: sodium methyl sulfate | 76% |
Conditions | Yield |
---|---|
In methanol under aerobic conditions; a soln. of Rh-contg. compd. (0.100 mmol) in MeOH was treated with a suspn. of 9-ethylguanine (0.100 mmol) in MeOH; themixt. was stirred for several days at room temp.; the react. was monitored by (1)H NMR spectra; the soln. was concd. undervac.; Et2O was added to ppt. the solid; slow evapn. of a MeOH soln. to which was added a small amt. of NaCH3SO4; | 72% |
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The IUPAC name of this chemical is Sodium methyl sulfate. With the CAS registry number 512-42-5 and EINECS 208-142-7, it is also named as Sulfuric acid,monomethyl ester, sodium salt (1:1). In addition, the molecular formula is CH4O4S.Na and the molecular weight is 135.09. It is a white powder and soluble in water. What's more, it should be stored in a cool, ventilated and dry place. The storage place must stay away from fire and heat source. And it must be stored apart from acids, edible chemicals.
Physical properties about this chemical are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.95; (4)ACD/LogD (pH 7.4): -3.95; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.98 Å2; (13)MonoIsotopic Mass: 133.964974; (14)Topological Polar Surface Area: 74.8; (15)Heavy Atom Count: 7; (16)Formal Charge: 0; (17)Complexity: 108.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and irritating to eyes and respiratory system and skin. It may cause cancer. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should not breathe vapour and should avoid exposure - obtain special instructions before use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)OC
(2)InChI: InChI=1/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
(3)InChIKey: DZXBHDRHRFLQCJ-REWHXWOFAV