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| CAS No.: | 5707-04-0 |
|---|---|
| Name: | PHENYLSELENENYL CHLORIDE |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5ClSe |
| Molecular Weight: | 191.519 |
| Synonyms: | Benzeneselenylchloride;Chlorophenylselenium;Phenylselenium chloride;Phenylseleniummonochloride;Phenylselenyl chloride; |
| EINECS: | 227-196-2 |
| Melting Point: | 59-62 °C(lit.) |
| Boiling Point: | 236.6 °C at 760 mmHg |
| Flash Point: | 96.9 °C |
| Appearance: | crystalline solid |
| 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: | 1.16990 |
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| Conditions | Yield |
|---|---|
| In tetrachloromethane at 20℃; for 2h; | 100% |
| Conditions | Yield |
|---|---|
| Stage #1: diphenyl diselenide With thionyl chloride In tetrachloromethane at 20℃; for 0.5h; Inert atmosphere; Stage #2: In tetrachloromethane at -20℃; for 2h; Inert atmosphere; | 94% |
| With (Dichloroiodo)benzene In hexane at 20℃; for 0.333333h; Darkness; | 82% |
| With (Dichloroiodo)benzene In hexane at 20℃; for 0.333333h; | 82% |
- 42572-42-9
phenylselenium trichloride
- 5707-04-0
Phenylselenyl chloride
| Conditions | Yield |
|---|---|
| at 170℃; unter vermindertem Druck; |
| Conditions | Yield |
|---|---|
| at 80℃; |
- 78489-00-6
N-phenyldichloroselenobenzeneseleninimidoyl chloride
A
- 5707-04-0
Phenylselenyl chloride
B
- 42572-42-9
phenylselenium trichloride
| Conditions | Yield |
|---|---|
| at 20℃; for 24h; Product distribution; | A 75 % Turnov. B 70 % Turnov. |
- 1352563-37-1
C12H10Cl2N2SSe2
- 5707-04-0
Phenylselenyl chloride
| Conditions | Yield |
|---|---|
| at 70℃; |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In nitromethane at 20℃; for 0.5h; Sealed tube; |
- 67-56-1
methanol
- 5707-04-0
Phenylselenyl chloride
- 931-88-4, 931-87-3
(Z)-Cyclooctene
- 73090-30-9
trans-1-phenylseleno-2-methoxycyclooctane
| Conditions | Yield |
|---|---|
| at 25℃; | 100% |
- 498-66-8
norborn-2-ene
- 5707-04-0
Phenylselenyl chloride
- 70303-01-4
endo-3-chloro-exo-2-phenylselenobicyclo<2.2.1>heptane
| Conditions | Yield |
|---|---|
| In dichloromethane | 100% |
| In water; acetonitrile for 24h; Ambient temperature; | 84% |
| In dichloromethane at 25℃; | 100 % Spectr. |
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Specification
The Benzeneselenenylchloride, with CAS registry number 5707-04-0, belongs to the following product categories: (1)Classes of Metal Compounds; (2)Se (Selenium) Compounds; (3)Semimetal Compounds. It has the systematic name of benzeneselenenyl chloride. This chemical is a kind of crystalline solid. And the chemical formula of this chemical is C6H5ClSe. What's more, its EINECS is 227-196-2.
Physical properties of Benzeneselenenylchloride: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 521.37; (6)ACD/BCF (pH 7.4): 521.37; (7)ACD/KOC (pH 5.5): 3065.73; (8)ACD/KOC (pH 7.4): 3065.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 96.9 °C; (14)Enthalpy of Vaporization: 45.42 kJ/mol; (15)Boiling Point: 236.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0722 mmHg at 25°C.
Uses of Benzeneselenenylchloride: it can be used to produce N-(phenyldichloroseleno)morpholine. This reaction will need reagent solvent CCl4. The reaction temperature is 20 ℃. The yield is about 89%.
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When you are using this chemical, please be cautious about it as the following:
The Benzeneselenenylchloride is toxic by inhalation and if swallowed. It has danger of cumulative effects. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste. When using, do not eat or drink and do not smoke. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Se]c1ccccc1
(2)InChI: InChI=1/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: WJCXADMLESSGRI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
(5)Std. InChIKey: WJCXADMLESSGRI-UHFFFAOYSA-N