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| CAS No.: | 645-96-5 |
|---|---|
| Name: | PHENYLSELENOL |
| Molecular Structure: | |
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|
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| Formula: | C6H6Se |
| Molecular Weight: | 157.074 |
| Synonyms: | Benzene,selenyl-;Phenol, seleno-;Phenyl selenol;Phenyl selenomercaptan;Selenophenol; |
| EINECS: | 211-457-2 |
| Density: | 1.479 g/mL at 25 °C(lit.) |
| Boiling Point: | 183.6 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/25-33-50/53 |
| Safety: | 20/21-28-45-60-61 |
| PSA: | 0.00000 |
| LogP: | 0.59290 |
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Specification
The Benzeneselenol, with the CAS registry number 645-96-5, is also known as Selenophenol. It belongs to the product categories of Classes of Metal Compounds; Se (Selenium) Compounds; Semimetal Compounds; Building Blocks; Organic Building Blocks; Selenium Compounds. Its EINECS registry number is 211-457-2. This chemical's molecular formula is C6H6Se and molecular weight is 157.07. Its systematic name is called benzeneselenol. This intensely malodorous liquid is a useful reagent in organic synthesis. This chemical is clear yellow liquid.
Physical properties of Benzeneselenol: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 5.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 67.66; (8)ACD/KOC (pH 7.4): 1.32 ; (9)#Freely Rotating Bonds: 1; (10)Flash Point: 70 °C; (11)Enthalpy of Vaporization: 40.26 kJ/mol; (12)Boiling Point: 183.6 °C at 760 mmHg; (13)Vapour Pressure: 1.04 mmHg at 25°C.
Preparation: this chemical is prepared via the reaction of phenylmagnesium bromide and selenium.
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When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is toxic by inhalation and if swallowed. When using it, please do not eat, drink or smoke. After contact with skin, you must 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.
You can still convert the following datas into molecular structure:
(1)SMILES: [SeH]c1ccccc1
(2)InChI: InChI=1/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H
(3)InChIKey: WDODWFPDZYSKIA-UHFFFAOYAD