3-Methoxycarbonyl-3-sulfolene supplier

Name
3-Methoxycarbonyl-3-sulfolene
EINECS 266-700-5
CAS No. 67488-50-0
Article Data2
CAS DataBase
Density 1.418 g/cm³
Solubility
Melting Point 60-62 °C
Formula C₆H₈O₄S
Boiling Point 360.8 °C at 760 mmHg
Molecular Weight 176.193
Flash Point 172 °C
Transport Information
Appearance white solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-methyl-1,1-dioxo-4,5-dihydrothiophene-3-carboxylate;3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide;Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide;
PSA 68.82000
LogP 0.59500

3-Methoxycarbonyl-3-sulfolene Specification

The 3-Methoxycarbonyl-3-sulfolene, with the CAS registry number 67488-50-0, is also known as 3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide. It belongs to the product category of Heterocyclic Compounds. Its EINECS number is 266-700-5. This chemical's molecular formula is C₆H₈O₄S and molecular weight is 176.19. What's more, its systematic name is methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide. You must not breathe dust. When using it, you should avoid contact with skin and eyes. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of 3-Methoxycarbonyl-3-sulfolene are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 68.82 Å²; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 38.13 cm³; (9)Molar Volume: 124.1 cm³; (10)Polarizability: 15.11×10^-24cm³; (11)Surface Tension: 49.7 dyne/cm; (12)Density: 1.418 g/cm³; (13)Flash Point: 172 °C; (14)Enthalpy of Vaporization: 60.65 kJ/mol; (15)Boiling Point: 360.8 °C at 760 mmHg; (16)Vapour Pressure: 2.17E-05 mmHg at 25°C.

Uses of 3-Methoxycarbonyl-3-sulfolene: it can be used to produce 4-vinyl-cyclohex-1-ene-1,4-dicarboxylic acid dimethyl ester at the temperature of 110 °C. It will need solvent toluene. The yield is about 96%.

3-Methoxycarbonyl-3-sulfolene can be used to produce 4-vinyl-cyclohex-1-ene-1,4-dicarboxylic acid dimethyl ester at the temperature of 110 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C1=C\CS(=O)(=O)C1
(2)InChI: InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3
(3)InChIKey: YHHZABJZHHCDNW-UHFFFAOYSA-N

Product Name

3-Methoxycarbonyl-3-sulfolene

3-Methoxycarbonyl-3-sulfolene Specification

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