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Benzeneselenenylchloride

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Name

Benzeneselenenylchloride

EINECS 227-196-2
CAS No. 5707-04-0 Density N/A
PSA 0.00000 LogP 1.16990
Solubility N/A Melting Point 59-62 °C(lit.)
Formula C6H5ClSe Boiling Point 236.6 °C at 760 mmHg
Molecular Weight 191.519 Flash Point 96.9 °C
Transport Information UN 2928 Appearance crystalline solid
Safety 20/21-28-45-60-61 Risk Codes 23/25-33-50/53
Molecular Structure Molecular Structure of 5707-04-0 (PHENYLSELENENYL CHLORIDE) Hazard Symbols ToxicT; DangerousN
Synonyms

Benzeneselenylchloride;Chlorophenylselenium;Phenylselenium chloride;Phenylseleniummonochloride;Phenylselenyl chloride;

Article Data 21

Benzeneselenenylchloride Synthetic route

1666-13-3

diphenyl diselenide

42572-42-9

phenylselenium trichloride

5707-04-0

Phenylselenyl chloride

Conditions
ConditionsYield
In tetrachloromethane at 20℃; for 2h;100%
1666-13-3

diphenyl diselenide

5707-04-0

Phenylselenyl chloride

Conditions
ConditionsYield
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%
67-66-3

chloroform

1666-13-3

diphenyl diselenide

5707-04-0

Phenylselenyl chloride

42572-42-9

phenylselenium trichloride

5707-04-0

Phenylselenyl chloride

Conditions
ConditionsYield
at 170℃; unter vermindertem Druck;

ethyl-dichloro-phenyl-λ4-selane

A

5707-04-0

Phenylselenyl chloride

B

75-00-3

chloroethane

Conditions
ConditionsYield
at 80℃;
78489-00-6

N-phenyldichloroselenobenzeneseleninimidoyl chloride

A

5707-04-0

Phenylselenyl chloride

B

42572-42-9

phenylselenium trichloride

Conditions
ConditionsYield
at 20℃; for 24h; Product distribution;A 75 % Turnov.
B 70 % Turnov.
1352563-37-1

C12H10Cl2N2SSe2

5707-04-0

Phenylselenyl chloride

Conditions
ConditionsYield
at 70℃;
645-96-5

Benzeneselenol

5707-04-0

Phenylselenyl chloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In dichloromethane100%
In water; acetonitrile for 24h; Ambient temperature;84%
In dichloromethane at 25℃;100 % Spectr.

Benzeneselenenylchloride 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%.

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

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