2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]- supplier

Name
3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBONYL CHLORIDE
EINECS
CAS No. 175202-28-5
Density 1.492 g/cm³
Solubility
Melting Point 170 °C
Formula C₈H₈Cl₂O₃S₂
Boiling Point 444.9 °C at 760 mmHg
Molecular Weight 287.18
Flash Point 222.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 3-Chloro-4-(isopropylsulfonyl)thiophene-2-carbonylchloride;
PSA 87.83000
LogP 4.04340

2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]- Specification

The 2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]-, with CAS registry number 175202-28-5, has the systematic name of 3-chloro-4-[(1-methylethyl)sulfonyl]thiophene-2-carbonyl chloride. Besides this, it is also called 3-Chloro-4-(isopropylsulfonyl)thiophene-2-carbonyl chloride. And the chemical formula of this chemical is C₈H₈Cl₂O₃S₂.

Physical properties of 2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]-: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.65; (6)ACD/BCF (pH 7.4): 11.65; (7)ACD/KOC (pH 5.5): 201.73; (8)ACD/KOC (pH 7.4): 201.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 87.83 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 61.97 cm³; (15)Molar Volume: 192.4 cm³; (16)Polarizability: 24.57×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.492 g/cm³; (19)Flash Point: 222.9 °C; (20)Enthalpy of Vaporization: 70.28 kJ/mol; (21)Boiling Point: 444.9 °C at 760 mmHg; (22)Vapour Pressure: 4.13E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(scc1S(=O)(=O)C(C)C)C(Cl)=O
(2)InChI: InChI=1/C8H8Cl2O3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3
(3)InChIKey: IECIGDCEDBXRTI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H8Cl2O3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3
(5)Std. InChIKey: IECIGDCEDBXRTI-UHFFFAOYSA-N

Product Name

3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBONYL CHLORIDE

2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]- Specification

Related Products

Hot Products