CAS No.540-63-6,1,2-Ethanedithiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	540-63-6
Name:	1,2-Ethanedithiol
Article Data:	75

Formula:	C₂H₆S₂
Molecular Weight:	94.2016
Synonyms:	s-Ethylene dimercaptan;Ethylenedithiol;Dithioglycol;Ethylene mercaptan;Dithioethyleneglycol;FEMA No. 3484;Ethylene dithioglycol;Ethylene dimercaptan;1,2-Dithiol ethane;ethane-1,2-dithiol;Ethylene glycol, dithio-;Ethylenedimercaptan;1,2-Dimercaptoethane;Ethyl hydropersulfide;1,2-dithioglycol;
EINECS:	208-752-3
Density:	1.05 g/cm³
Melting Point:	?41 °C(lit.)
Boiling Point:	144.3 °C at 760 mmHg
Flash Point:	44.4 °C
Solubility:	insoluble in water
Appearance:	Clear colorless solid
Hazard Symbols:	T; Xn; F
Risk Codes:	10-23/24/25-23/25-21-36-23-21/22-36/37/38-20/21/22
Safety:	36/37/39-45-26-16-36/37-36-7/9
Transport Information:	UN 3071 6.1/PG 2
PSA:	77.60000
LogP:	0.84600

Synthetic route

: 645-96-5
Benzeneselenol

poly(ethylene disulfide): poly(ethylene disulfide)

A: 1666-13-3
diphenyl diselenide

B: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
at 50 - 55℃; for 0.5h; Reduction; oxidation;	A 94% B 96.4%

...Expand

: 5769-02-8
2-methyl-2-phenyl[1,3]dithiolane

A: 540-63-6
ethane-1,2-dithiol

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With magnesium(II) perchlorate; water; methylene green In acetonitrile Irradiation;	A n/a B 91%

: 66278-17-9
(2-Methyl-1,3-dithiolan-2-yl)essigsaeure-ethylester

A: 141-97-9
ethyl acetoacetate

B: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With magnesium(II) perchlorate; water; methylene green In acetonitrile Irradiation;	A 90% B n/a

: 822-38-8
1,3-dithiolane-2-thione

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran	86%

polymer, product of thiylation with 0.19 g/mol of sulfur, where content of sulfur moieties 2.0 in repeating units; monomer(s): 1,2-dichloroethane, charged content 0.095 g/mol: polymer, product of thiylation with 0.19 g/mol of sulfur, where content of sulfur moieties 2.0 in repeating units; monomer(s): 1,2-dichloroethane, charged content 0.095 g/mol

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate at 80℃; for 2.5h;	56.8%

polymer: monomers(s): 1,2-dichloroethane; sulfur: polymer: monomers(s): 1,2-dichloroethane; sulfur

A: 3570-55-6
3-thiapentan-1,5-dithiol

B: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With sodium hydroxide; hydrazine hydrate Heating;	A 37% B 37%

polymer: monomers(s): 1,2-dibromoethane; sulfur: polymer: monomers(s): 1,2-dibromoethane; sulfur

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With sodium hydroxide; hydrazine hydrate Heating;	33%

: 420-12-2
thirane

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With methanol; hydrogen sulfide at 60℃; unter Druck;
With 2,2'-thiobis-ethanol; hydrogen sulfide at 45℃;

: 1,2-bis-sulfosulfanyl-ethane

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With hydrogenchloride

: 74-85-1
ethene

: 540-63-6
ethane-1,2-dithiol

Conditions

Conditions	Yield
With sulfur; benzene at 175℃; under 77228.3 - 88260.9 Torr; und Hydrieren des Reaktionsprodukts unter Druck an Co2S3 bei 150grad oder an Nickel-Kieselgur bei 160grad;

Raw Materials

107-21-1

60-29-7

64-17-5

Downstream Products

874-14-6

67-63-0

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,2-Ethanedithiol, with the CAS registry number 540-63-6, has the IUPAC name of ethane-1,2-dithiol. As to its usage, it is usually used as building block in organic synthesis and an excellent ligand for metal ions. And its product categories are including Phenoles and thiophenoles; Other Reagents; thiol Flavor; Chemistry.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.82; (6)ACD/BCF (pH 7.4): 5.76; (7)ACD/KOC (pH 5.5): 122.84; (8)ACD/KOC (pH 7.4): 121.56; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.6; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 27.1 cm³; (15)Molar Volume: 89.6 cm³; (16)Polarizability: 10.74×10^-24 cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 44.4 °C; (20)Enthalpy of Vaporization: 37.93 kJ/mol; (21)Boiling Point: 144.3 °C at 760 mmHg; (22)Vapour Pressure: 6.45 mmHg at 25°C; (23)Exact Mass: 93.991092; (24)MonoIsotopic Mass: 93.991092; (25)Topological Polar Surface Area: 2; (26)Heavy Atom Count: 4; (27)Complexity: 6.

Use of this chemical: 1,2-Ethanedithiol could react with diketene to produce 1,2-bis-(4-oxo-oxetan-2-ylmethylsulfanyl)-ethane, with the following condition: reagent: cyclohexane azoisobutyronitrile; other condition: unter Bestrahlung mit UV-Licht.

Production method of this chemical: [1,3]dithiolane-2-thione could react to produce 1,2-Ethanedithiol, with the following condition: reagent: LAH; solvent: tetrahydrofuran; yield: 86 %.

When you are dealing with this chemical, you should be much more cautious. For one thing, it is harmful which may cause damage to health. For another thing, it is toxic which at low levels cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be very toxic. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

Therefore, you should take different measures to deal with different cases. Wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). Then while store it, keep the container tightly closed and in a well-ventilated place, away from sources of ignition - No smoking.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CS)S
(2)InChI: InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
(3)InChIKey: VYMPLPIFKRHAAC-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)	European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
mouse	LD50	intravenous	56200ug/kg (56.2mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02101,
mouse	LD50	oral	342mg/kg (342mg/kg)	Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.