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