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CAS No.: | 7311-87-7 |
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Name: | 3-CHLORO-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H5ClO2S |
Molecular Weight: | 152.5993 |
Synonyms: | 3-Chloro-2,5-dihydrothiophene-1,1-dioxide;3-Chloro-3-sulfolene;3-chloro-2,5-dihydrothiophene 1,1-dioxide;3-Chloro-2,5-dihydrothiophene 1,1-dioxide;3-chloro-2,5-dihydro-1H-1λ6-thiophene-1,1-dione;Thiophene, 3-chloro-2,5-dihydro-, 1,1-dioxide;3-Chloro-2,5-dihydrothiophene 1,1-dioxide; |
Density: | 1.51 g/cm3 |
Melting Point: | 90 °C |
Boiling Point: | 353.4 °C at 760 mmHg |
Flash Point: | 167.6 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 42.52000 |
LogP: | 1.61830 |
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The Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide, with the CAS registry number 7311-87-7, has the systematic name of 3-chloro-2,5-dihydrothiophene 1,1-dioxide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H5ClO2S.
The characteristics of Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide are as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.71; (8)ACD/KOC (pH 7.4): 21.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 31.85 cm3; (15)Molar Volume: 100.8 cm3; (16)Polarizability: 12.62×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 167.6 °C; (20)Enthalpy of Vaporization: 57.48 kJ/mol; (21)Boiling Point: 353.4 °C at 760 mmHg; (22)Vapour Pressure: 7.31E-05 mmHg at 25°C.
Uses of Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide: It can react with iodomethane to produce 3-chloro-2-methyl-3-sulfolene. And the yield is about 32%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl/C1=C/CS(=O)(=O)C1
(2)InChI: InChI=1/C4H5ClO2S/c5-4-1-2-8(6,7)3-4/h1H,2-3H2
(3)InChIKey: ZYILUGIWXXXVRM-UHFFFAOYAG