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| CAS No.: | 34837-55-3 |
|---|---|
| Name: | Phenylselenyl bromide |
| Article Data: | 73 |
| Molecular Structure: | |
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|
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| Formula: | C6H5BrSe |
| Molecular Weight: | 235.97 |
| Synonyms: | Benzeneselenylbromide;Phenylselenenyl bromide;Phenylselenium bromide;Benzeneselenenylbromide; |
| EINECS: | 252-238-1 |
| Melting Point: | 58-62 °C(lit.) |
| Boiling Point: | 229.1 °C at 760 mmHg |
| Flash Point: | 92.4 °C |
| Appearance: | dark brownish to black crystals |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/25-33-50/53 |
| Safety: | 20/21-28-45-60-61 |
| Transport Information: | UN 2928 |
| PSA: | 0.00000 |
| LogP: | 1.32600 |
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Specification
The Phenylselenyl bromide, with the CAS registry number 34837-55-3, is also known as Phenylselenium bromide. It belongs to the product categories of Classes of Metal Compounds; Se (Selenium) Compounds; Semimetal Compounds. Its EINECS number is 252-238-1. This chemical's molecular formula is C6H5BrSe and molecular weight is 235.97. What's more, its systematic name is benzeneselenenyl bromide. It should be sealed and stored at the temperature of 2 - 8 °C. What's more, it should be protected from oxides and water.
Physical properties of Phenylselenyl bromide are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/BCF (pH 5.5): 696.11; (5)ACD/KOC (pH 5.5): 3770.44; (6)#Freely Rotating Bonds: 1; (7)Flash Point: 92.4 °C; (8)Enthalpy of Vaporization: 44.68 kJ/mol; (9)Boiling Point: 229.1 °C at 760 mmHg; (10)Vapour Pressure: 0.107 mmHg at 25°C.
Uses of Phenylselenyl bromide: it can be used to produce Ethyl a-Selenophenylacetat at the temperature of -78 °C. It will need reagent i-Pr2NH, BuLi and solvent tetrahydrofuran, hexane with the reaction time of 15 min. It's a reaction of selenenylation. The yield is about 79%.
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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 the danger of cumulative effects. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you must not eat, drink or smoke in the lab. After contact with skin, you need 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 the label where possible). This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: Br[Se]c1ccccc1
(2)InChI: InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N