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| CAS No.: | 683-60-3 |
|---|---|
| Name: | Sodium propan-2-olate |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7NaO |
| Molecular Weight: | 82.0777 |
| Synonyms: | 2-Propanol,sodium salt (9CI);Isopropyl alcohol, sodium salt (8CI);Sodium isopropoxide(6CI,7CI);Isopropanol sodium salt;Isopropoxysodium;Sodium isopropanolate;Sodium isopropyl oxide;Sodium isopropylate; |
| EINECS: | 211-673-7 |
| Density: | 0.9 g/cm3 |
| Melting Point: | 70-75 °C |
| Boiling Point: | 73°C at 760 mmHg |
| Flash Point: | -19°C |
| Appearance: | Yellow-brown crystals similar to alcohol |
| Hazard Symbols: |
 C, F
|
| Risk Codes: | 11-34-41 |
| Safety: | 16-26-43-45 |
| PSA: | 23.06000 |
| LogP: | 0.82530 |
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| Conditions | Yield |
|---|---|
| With pentane |
- 108-20-3
di-isopropyl ether
- 1822-71-5
n-pentylsodium
- 109-66-0
pentane
A
- 683-60-3
sodium isopropylate
B
- 2521-40-6
allyl sodium
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 15 - 35℃; Kinetics; | |
| In isopropyl alcohol at 25℃; Equilibrium constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); |
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 25℃; Equilibrium constant; |
A
- 71338-03-9
6-Chlor-1-isopropoxy-2,4-dinitrobenzol
B
- 683-60-3
sodium isopropylate
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 25℃; Equilibrium constant; |
A
- 71338-04-0
1-Isopropoxy-6-isopropoxycarbonyl-2,4-dinitrobenzol
B
- 683-60-3
sodium isopropylate
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 25℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| With sodium perchlorate In isopropyl alcohol at 25℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| With sodium at 60 - 90℃; for 1h; Product distribution / selectivity; | |
| With sodium hydride at 0℃; | |
| With sodium hydride |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20℃; for 4.25h; Reflux; Overall yield = 22.15 g; |
- 683-60-3
sodium isopropylate
- 81171-31-5
[2-Chloro-1-methyl-2-phenyl-eth-(E)-ylidene]-isopropyl-amine
- 103818-65-1
isopropyl N-isopropyl-3-phenylpropanimidate
| Conditions | Yield |
|---|---|
| In isopropyl alcohol for 18h; Heating; | 100% |
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Specification
The IUPAC name of Sodium isopropoxide is sodium propan-2-olate. With the CAS registry number 683-60-3, it is also named as 2-Propanol, sodium salt. It is yellow-brown crystals similar to alcohol which reacts strong with water. Additionally, this chemical can be obtained by the reaction of metallic sodium and dried isopropanol. It should be stored in a container which is filled dry inert gas. And the container is placed in the cool and dry aera. When heated to decomposition it emits toxic fumes of Na2O.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 0; (4)Exact Mass: 82.03946; (5)MonoIsotopic Mass: 82.03946; (6)Topological Polar Surface Area: 23.1; (7)Heavy Atom Count: 5; (8)Complexity: 14.4; (9)Covalently-Bonded Unit Count: 2.
Uses of Sodium isopropoxide: It is used as Ibuprofen intermediate. And in many reactions such as polymerization of butadiene, it used as a catalyst. Additionally, Sodium isopropoxide is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. And it can cause burns and has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)O[Na]
2. InChI:InChI=1/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1/rC3H7NaO/c1-3(2)5-4/h3H,1-2H3