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| CAS No.: | 930-69-8 |
|---|---|
| Name: | SODIUM THIOPHENOXIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6S.Na |
| Molecular Weight: | 132.161 |
| Synonyms: | Benzenethiol,sodium deriv. (6CI);Benzenethiol, sodium salt (8CI,9CI);Sodium, (phenylthio)-(7CI);Sodium benzenethiolate;Sodium phenylmercaptide;Sodium phenylsulfide;Sodium phenylthiolate;Sodium thiophenate;Sodium thiophenolate;Sodiumthiophenoxide;Sodium thiophenylate;Thiophenol sodium salt;Thiophenyl sodiumsalt; |
| EINECS: | 213-224-0 |
| Density: | 1.079g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 169.1°C at 760mmHg |
| Flash Point: | 50.6°C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1759 |
| PSA: | 25.30000 |
| LogP: | 2.24300 |
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| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 45℃; | 97% |
| With sodium hydride In tetrahydrofuran; diethyl ether for 1.75h; | 93% |
| With sodium In diethyl ether | 90% |
| Conditions | Yield |
|---|---|
| With sodium thiomethoxide In methanol at 23℃; for 0.5h; | 81% |
| Conditions | Yield |
|---|---|
| With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 90℃; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 23℃; Rate constant; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 23℃; Rate constant; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 22.4 - 33.5℃; Rate constant; Thermodynamic data; Ea, ΔG*, ΔS*; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 23℃; Rate constant; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol for 0.5h; Heating; | |
| With sodium In ammonia | |
| With sodium tetrahydroborate In ethanol | |
| With sodium tetrahydroborate In ethanol Inert atmosphere; |
- 5510-78-1
diphenylthiophosphinic acid-S-phenyl ester
A
- 930-69-8
sodium thiophenolate
B
- 22214-04-6
sodium diphenylphosphinate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetonitrile at 25℃; Rate constant; effect of H2O-MeCN proportion; further base and solvent; |
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Specification
The cas register number of Sodium thiophenolate is 930-69-8. It also can be called as Benzenethiol, sodium salt and the Systematic name about this chemical is sodium benzenethiolate.
Physical properties about Sodium thiophenolate are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 44.97; (6)ACD/BCF (pH 7.4): 6.83; (7)ACD/KOC (pH 5.5): 519.58; (8)ACD/KOC (pH 7.4): 78.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.8Å2; (13)Flash Point: 50.6 °C; (14)Enthalpy of Vaporization: 39.93 kJ/mol; (15)Boiling Point: 169.1 °C at 760 mmHg; (16)Vapour Pressure: 2.07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear suitable protective clothing, gloves and eye/face protection. 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: [Na+].[S-]c1ccccc1
2.InChI: InChI=1/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
3.InChIKey: RZWQDAUIUBVCDD-REWHXWOFAQ
4.Std. InChI: InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1.