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| CAS No.: | 140-93-2 |
|---|---|
| Name: | Carbonodithioic acid,O-(1-methylethyl) ester, sodium salt (1:1) |
| Article Data: | 9 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7NaOS2 |
| Molecular Weight: | 158.221 |
| Synonyms: | Carbonicacid, dithio-, O-isopropyl ester, sodium salt (8CI);Aeroxanthate 343;Good-rite Nix;NIX;O-Isopropyl sodium dithiocarbonate;O-Isopropyl sodium xanthate;Sodium O-isopropyl dithiocarbonate;Sodiumisopropylxanthogenate;Z 11; |
| EINECS: | 205-443-5 |
| Density: | 1.225 |
| Melting Point: | 216-218°C(lit.) |
| Boiling Point: | 138 °C at 760 mmHg |
| Flash Point: | 37.2 °C |
| Solubility: | N/A |
| Appearance: | White to yellowish powder or lumps |
| Hazard Symbols: |
 N, Xn
|
| Risk Codes: | 22-38-51/53 |
| Safety: | 13-61 |
| Transport Information: | N/A |
| PSA: | 66.62000 |
| LogP: | 1.89380 |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In Petroleum ether | |
| With sodium hydroxide In toluene at 25 - 30℃; for 2h; | |
| Stage #1: isopropyl alcohol With sodium at 65℃; for 3h; Inert atmosphere; Stage #2: carbon disulfide for 1h; | 136.67 g |
| Stage #1: isopropyl alcohol With sodium at 65℃; for 6h; Inert atmosphere; Stage #2: carbon disulfide at 35℃; for 1h; | 136.67 g |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| at 0 - 20℃; |
sodium isopropylxanthate
| Conditions | Yield |
|---|---|
| In dichloromethane byproducts: OP(C6H5)3, NaCl; soln. of MoO2Cl2(OP(C6H5)3)2 in CH2Cl2 added with stirring at room temp.to susp. of Na(C3H7OCS2)2 in CH2Cl2, mixt. stirring 3 h; NaCl fitered off, washed with CH2Cl2, filtrate concd., solid dried in vacuo and repeated washing with dried benzene; elem. anal.; | 98% |
sodium isopropylxanthate
benzyl chloride
2-propylcarbonothioylthiomethylbenzene
| Conditions | Yield |
|---|---|
| In water at 75℃; for 4h; | 97.1% |
| at 75℃; for 3h; | |
| at 75℃; for 3h; |
sodium isopropylxanthate
chloroformic acid ethyl ester
S-ethoxycarbonyl O-2-propyl dithiocarbonate
| Conditions | Yield |
|---|---|
| With cetyltrimethylammonim bromide In N,N-dimethyl-aniline at 10 - 25℃; for 6.5h; | 97.1% |
| Conditions | Yield |
|---|---|
| Stage #1: sodium isopropylxanthate; 4-anisidinium hydrogen sulfate With dihydrogen peroxide In water at 40℃; for 1.1h; Green chemistry; Stage #2: With sulfuric acid In water at 80℃; for 2.2h; pH=7; Green chemistry; | 97% |
| Conditions | Yield |
|---|---|
| Stage #1: diisopropylammonium hydrogen sulphate; sodium isopropylxanthate With dihydrogen peroxide In water at 45℃; for 1.4h; Green chemistry; Stage #2: With sulfuric acid In water at 80℃; for 2.3h; pH=7; Green chemistry; | 96% |
sodium isopropylxanthate
aniline sulfate
phenyl-thiocarbamic acid S-iso-propyl ester
| Conditions | Yield |
|---|---|
| Stage #1: sodium isopropylxanthate; aniline sulfate With dihydrogen peroxide In water at 40℃; for 1h; Green chemistry; Stage #2: With sulfuric acid In water at 100℃; for 2h; pH=7; Green chemistry; | 96% |
| Conditions | Yield |
|---|---|
| Stage #1: di-n-propylammonium hydrogen sulphate; sodium isopropylxanthate With dihydrogen peroxide In water at 40℃; for 1h; Green chemistry; Stage #2: With sulfuric acid In water at 70℃; for 2h; pH=7; Green chemistry; | 95% |
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The IUPAC name of Proxan-sodium is sodium propan-2-yloxymethanedithioate. With the CAS registry number 140-93-2, it is also named as Sodium isopropyl xanthate. The product's category is Inorganic & Organic Chemicals. Besides, it is mainly used for the flotation and collection of non-ferrous metal sulphide, which should be stored in ventilated and dry warehouse at low temperature. In addition, its molecular formula is C4H7NaOS2 and molecular weight is 158.21.
The other characteristics of Proxan-sodium can be summarized as: (1)EINECS: 205-443-5; (2)ACD/LogP: 2.29; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.58; (5)ACD/LogD (pH 7.4): -1.42; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 80.12 Å2; (14)Flash Point: 37.2 °C; (15)Enthalpy of Vaporization: 35.98 kJ/mol; (16)Boiling Point: 138 °C at 760 mmHg; (17)Vapour Pressure: 8.55 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed and irritating to skin. It is also toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Please keep away from food, drink and animal foodstuffs. Moreover, please avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[S-]C(=S)OC(C)C
(2)InChI: InChI=1/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
(3)InChIKey: IRZFQKXEKAODTJ-REWHXWOFAU
(4)Std. InChI: InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
(5)Std. InChIKey: IRZFQKXEKAODTJ-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | parenteral | 600mg/kg (600mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 696, 1955. |
