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Name |
Dimethyldiselenide |
EINECS | 230-410-7 |
CAS No. | 7101-31-7 | Density | 1.987 g/cm3 |
PSA | 0.00000 | LogP | 0.40600 |
Solubility | Reacts with water. | Melting Point |
-82.2 °C |
Formula | C2H6Se2 | Boiling Point | 158.9 °C at 760 mmHg |
Molecular Weight | 187.99 | Flash Point | 60 °C |
Transport Information | UN 2929 6.1/PG 2 | Appearance | orange liquid with a very unpleasant smell |
Safety | 23-36/37/39-45-61-60-28A-20/21-28 | Risk Codes | 23/24/25-50/53-33 |
Molecular Structure | Hazard Symbols | T,N | |
Synonyms |
Methyldiselenide (6CI,7CI,8CI);Dimethyl diselenide; |
Article Data | 55 |
selenothiobenzoic acid Se-methyl ester
dimethyl amine
A
dimethyl diselenide
B
N,N-dimethylthiobenzamide
Conditions | Yield |
---|---|
In dichloromethane | A n/a B 100% |
1-Methylselanyl-2-phenyl-ethanethione
dimethyl amine
A
dimethyl diselenide
B
N,N-dimethyl-2-phenylethanethioamide
Conditions | Yield |
---|---|
In dichloromethane | A n/a B 100% |
(4-Methoxy-phenyl)-methylselanyl-methanethione
dimethyl amine
A
dimethyl diselenide
B
4-methoxy-N,N-dimethylbenzenecarbothioamide
Conditions | Yield |
---|---|
In dichloromethane | A n/a B 100% |
Conditions | Yield |
---|---|
In d(4)-methanol for 0.5h; | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide; selenium; hydrazine hydrate In water at 30 - 32℃; | 98% |
With potassium hydroxide; selenium(IV) oxide; hydrazine hydrate In water at 30 - 32℃; | 95% |
With selenium; sodium tetrahydroborate In ethanol; N,N-dimethyl-formamide for 1h; | 82% |
1-(4-methylphenyl)-1,1-bis(methylseleno)ethane
A
dimethyl diselenide
B
1-Methyl-4-(1-methylselanyl-ethyl)-benzene
Conditions | Yield |
---|---|
With methyl selenide; zinc(II) chloride In dichloromethane for 15h; Ambient temperature; | A n/a B 95% |
Conditions | Yield |
---|---|
With sodium hydroxide; selenium; tetrabutylammomium bromide; hydrazine hydrate In water at 15 - 20℃; | 90% |
With potassium hydroxide; selenium; sodium hydrogensulfite In water Heating; | 73% |
With sodium hydroxide; selenium; hydrazine hydrate In water 1.) room temp., 7 h, 2) 15 --> 20 deg C; | 69% |
With sodium hydroxide; selenium; rongalite In water |
Conditions | Yield |
---|---|
With sodium hydroxide; selenium; hydrazine hydrate In N,N-dimethyl-formamide 1.) room temp., 6 h; | 88% |
With disodium diselenide |
Conditions | Yield |
---|---|
With sodium perborate In ethanol at 20℃; for 5h; | 86% |
With potassium hydroxide; dihydrogen peroxide 2.) ether, 0 deg C, 4 h; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With selenium; sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; | A 72% B n/a |
The Diselenide, dimethyl(9CI), with CAS registry number 7101-31-7, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Classes of Metal Compounds; (3)Se (Selenium) Compounds; (4)Semimetal Compounds. It has the systematic name of dimethyldiselane. This chemical should be stored at the temperature of 0-6°C.
Physical properties of Diselenide, dimethyl(9CI): (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.39; (6)ACD/BCF (pH 7.4): 39.39; (7)ACD/KOC (pH 5.5): 482.64; (8)ACD/KOC (pH 7.4): 482.64; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 37.92 kJ/mol; (14)Vapour Pressure: 3.34 mmHg at 25°C.
Preparation: this chemical can be prepared by bromomethane. This reaction will need reagents NaOH, Se, N2H4.H2O and solvent dimethylformamide. The yield is about 88%.
Uses of Diselenide, dimethyl(9CI): it can be used to produce methaneselenol. This reaction will need reagent mercury
water.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. R33:Danger of cumulative effects. R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
When you are using this chemical, please be cautious about it as the following:
The Diselenide, dimethyl(9CI) is toxic by inhalation, in contact with skin and if swallowed. And it has danger of cumulative effects. This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. When using, do not eat or drink and smoke. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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.) After contact with skin, wash immediately with plenty of soap-suds. After using it, this material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: [Se]([Se]C)C
(2)InChI: InChI=1/C2H6Se2/c1-3-4-2/h1-2H3
(3)InChIKey: VLXBWPOEOIIREY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3
(5)Std. InChIKey: VLXBWPOEOIIREY-UHFFFAOYSA-N