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| CAS No.: | 1482-82-2 |
|---|---|
| Name: | Dibenzyl diselenide |
| Article Data: | 82 |
| Molecular Structure: | |
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| Formula: | C14H14Se2 |
| Molecular Weight: | 340.185 |
| Synonyms: | Benzyldiselenide (6CI,7CI,8CI);Bis(phenylmethyl)diselenide;Dibenzyl diselenide;Dibenzyldiselenium;NSC 44641;NSC 49764; |
| Melting Point: | 91-93 °C(lit.) |
| Boiling Point: | 427.3 °C at 760 mmHg |
| Flash Point: | 212.2 °C |
| Solubility: | Soluble in water. |
| Appearance: | Yellow fine crystalline powder |
| Hazard Symbols: |
 T,  N
|
| Risk Codes: | 23/25-33-50/53 |
| Safety: | 20/21-28-45-60-61 |
| PSA: | 0.00000 |
| LogP: | 3.24300 |
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Specification
The Diselenide,bis(phenylmethyl) is an organic compound with the formula C14H14Se2. The IUPAC name of this chemical is (Benzyldiselanyl)methylbenzene. With the CAS registry number 1482-82-2, it is also named as Benzyl diselenide. The product's categories are Pharmaceutical Intermediates; Classes of Metal Compounds; Se(Selenium) Compounds; Semimetal Compounds; Building Blocks; Organic Building Blocks; Selenium Compounds. Besides, its molecular weight is yellow fine crystalline powder, which should be stored in a cool, sealed, dry, well-ventilated, lightproof place.
Physical properties about Diselenide,bis(phenylmethyl) are: (1)ACD/LogP: 5.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.98; (4)ACD/LogD (pH 7.4): 5.98; (5)ACD/BCF (pH 5.5): 20823.97; (6)ACD/BCF (pH 7.4): 20823.97; (7)ACD/KOC (pH 5.5): 42935.24; (8)ACD/KOC (pH 7.4): 42935.24; (9)#Freely Rotating Bonds: 5; (10)Flash Point: 212.2 °C; (11)Enthalpy of Vaporization: 65.58 kJ/mol; (12)Boiling Point: 427.3 °C at 760 mmHg; (13)Vapour Pressure: 4.13E-07 mmHg at 25 °C.
Preparation: this chemical can be prepared by Phenyl-methaneselenol. This reaction will need reagents PhCO2H; trichloroisocyanuric acid; pyridine and solvents CH2Cl2; acetonitrile; H2O. The reaction time is 30 min with reaction temperature of 40 °C. The yield is about 75%.
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Uses of Diselenide,bis(phenylmethyl): it can be used to produce Ethyl-benzyl selenide. It will need reagent NaBH4 and solvent ethanol with reaction time of 4 hours. The yield is about 67%.
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When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed. It has danger of cumulative effects. Besides, this chemical is very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, do not eat, drink or smoke, and avoid release to the environment. Refer to special instructions safety data sheet. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). This material and/or its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H14Se2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
(2)InChIKey: HYAVEDMFTNAZQE-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C14H14Se2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
(4)Std. InChIKey: HYAVEDMFTNAZQE-UHFFFAOYSA-N