Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide supplier

Name
3-CHLORO-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
EINECS
CAS No. 7311-87-7
Article Data4
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point 90 °C
Formula C₄H₅ClO₂S
Boiling Point 353.4 °C at 760 mmHg
Molecular Weight 152.5993
Flash Point 167.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
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;
PSA 42.52000
LogP 1.61830

Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide Specification

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

Product Name

3-CHLORO-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE

Thiophene,3-chloro-2,5-dihydro-, 1,1-dioxide Specification

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