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Diethyldiselenide

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Name

Diethyldiselenide

EINECS 211-042-6
CAS No. 628-39-7 Density 1.23 g/cm3

PSA 0.00000 LogP 1.18620
Solubility N/A Melting Point N/A
Formula C4H10Se2 Boiling Point 199.164 °C at 760 mmHg
Molecular Weight 216.043 Flash Point 74.252 °C
Transport Information N/A Appearance Red liquid
Safety 20/21-28-45 Risk Codes 23/25-33-50/53
Molecular Structure Molecular Structure of 628-39-7 (Diethyldiselenide) Hazard Symbols N/A
Synonyms

Ethyldiselenide (6CI,7CI,8CI);Diselenide, diethyl;

Article Data 33

Diethyldiselenide Synthetic route

74-96-4

ethyl bromide

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With potassium hydroxide; selenium; hydrazine hydrate In water at 40 - 45℃;97%
With potassium hydroxide; selenium(IV) oxide; hydrazine hydrate In water at 40 - 45℃;95%
With disodium diselenide In N,N-dimethyl-formamide at 50℃; for 0.5h;88%
75-03-6

ethyl iodide

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With disodium diselenide; tetrabutylammomium bromide In water for 0.05h;90%
With potassium hydroxide; selenium; hydrazine hydrate In water at 60 - 70℃;89%
With sodium hydroxide; selenium; hydrazine hydrate 1.) MeOH, 6 h; Multistep reaction;
With selenium; copper(II) oxide; potassium hydroxide In dimethyl sulfoxide at 90℃; Inert atmosphere;
75-07-0

acetaldehyde

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With disodium diselenide; sodium hydrogen selenide; N,N-dimethyl-formamide In ethanol at 60 - 70℃; for 7h;90%
95494-85-2

1,2-bis(ethylseleno)-1-phenylethene

A

18782-55-3

2,5-bis-phenylselenophene

B

628-39-7

diethyl diselenide

C

(1-ethylseleno)-1-phenylethene

D

(tris-ethylselanyl-vinyl)-benzene

Conditions
ConditionsYield
at 180℃; for 25h;A n/a
B n/a
C 81%
D n/a
693-03-8

n-butyl magnesium bromide

175538-67-7

(Z)-1,2-bis(ethylseleno)ethene

A

628-39-7

diethyl diselenide

B

111-65-9

octane

C

7433-78-5

cis-5-decene

D

(Z)-ethyl-1-hexene-1-yl selenide

Conditions
ConditionsYield
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether at 20℃; Further byproducts given;A 145 mg
B 226 mg
C 78%
D 42 mg
75-07-0

acetaldehyde

A

15732-69-1

2,4,6-trimethyl-1,3,5-triselenane

B

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate In dichloromethane at 0℃; for 6h;A 54%
B n/a
5926-26-1

(chloromethyl)trimethoxysilane

GENERIC INORGANIC CATION; ethaneselenolate

A

628-39-7

diethyl diselenide

B

126912-03-6

bis(trimethoxysilylmethyl) selenide

C

ethyl (trimethoxysilyl)methyl selenide

D

bis(trimethoxysilylmethyl)diselenide

Conditions
ConditionsYield
In tetrahydrofuran for 1.5h; Heating;A n/a
B n/a
C n/a
D 35%
17912-00-4

bis-(1-bromo-vinyl) sulfoxide

57796-75-5

divinyl selenide

A

628-39-7

diethyl diselenide

B

136308-15-1

di<2-(vinylseleno)vinyl> sulfoxide

Conditions
ConditionsYield
With ammonia; sodium for 0.666667h;A 20%
B 12%
64-67-5

diethyl sulfate

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With disodium diselenide
With potassium diselenide
60-29-7

diethyl ether

628-39-7

diethyl diselenide

Conditions
ConditionsYield
With aluminum selenide at 250 - 300℃;

Diethyldiselenide Specification

Diethyldiselenide is an organic compound with the formula C4H10Se2, and its systematic name is the same with the product name. With the CAS registry number 628-39-7, it is also named as Diselenide, diethyl. It belongs to the product category of Organoselenides. Its EINECS number is 211-042-6. In addition, the molecular weight is 216.04. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored below the temperature of 5 °C. Moreover, it should be protected from oxides.

Physical properties of Diethyldiselenide are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.89; (6)ACD/BCF (pH 7.4): 164.89; (7)ACD/KOC (pH 5.5): 1344.87; (8)ACD/KOC (pH 7.4): 1344.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 74.252 °C; (13)Enthalpy of Vaporization: 41.757 kJ/mol; (14)Boiling Point: 199.164 °C at 760 mmHg; (15)Vapour Pressure: 0.49 mmHg at 25°C.

Preparation of Diethyldiselenide: this chemical can be prepared by bromoethane at the temperature of 50 °C. This reaction will need reagent Na2Se2 and solvent dimethylformamide with the reaction time of 30 min. The yield is about 88%.

Diethyldiselenide can be prepared by bromoethane at the temperature of 50 °C

Uses of Diethyldiselenide: it can be used to produce 3-ethylselanyl-propene at the temperature of 50 °C. It will need reagents ytterbium powder, TMSCl and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 60%.

Diethyldiselenide can be used to produce 3-ethylselanyl-propene at the temperature of 50 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and if swallowed. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. This substance has a danger of cumulative effects. When using it, you must not eat, drink or smoke. After contact with skin, you need to wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Se]([Se]CC)CC
(2)Std. InChI: InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3
(3)Std. InChIKey: OMAWWKIPXLIPDE-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LCLo skin 8600ug/kg (8.6mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0555235,
rat LCLo inhalation 2200mg/m3/45M (2200mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: EXCITEMENT
National Technical Information Service. Vol. OTS0555235,
rat LD50 oral 90mg/kg (90mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0555235,

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