3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID

The 2-Thiophenecarboxylic acid, 3,4,5-trichloro- is an organic compound with the formula C₅HCl₃O₂S. The systematic name of this chemical is 3,4,5-Trichlorothiophene-2-carboxylic acid. The CAS registry number of this chemical is 26020-48-4. Besides, it should be stored in a cool, sealed, dry place.

The physical properties of 2-Thiophenecarboxylic acid, 3,4,5-trichloro- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.19; (7)ACD/KOC (pH 7.4): 1.68; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54 Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 46.25 cm³; (14)Molar Volume: 127.2 cm³; (15)Polarizability: 18.33×10^-24 cm³; (16)Surface Tension: 64 dyne/cm; (17)Density: 1.818 g/cm³; (18)Flash Point: 156.7 °C; (19)Enthalpy of Vaporization: 61.07 kJ/mol; (20)Boiling Point: 335.6 °C at 760 mmHg; (21)Vapour Pressure: 4.67E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by Trichloro-thiophene-2-carbonitrile. This reaction will need reagent Conc. sulfuric acid, catalyst AIBN and solvents acetic acid and H₂O. The reaction time is 30 min. The yield is about 98%.

Uses of 2-Thiophenecarboxylic acid, 3,4,5-trichloro-: it and methanol can be used to produce 3,4,5-Trichloro-thiophene-2-carboxylic acid methyl ester. It will need reagent HCl with reaction time of 10 hours. The yield is about 83.1%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(sc(Cl)c1Cl)C(=O)O
(2)InChI: InChI=1/C5HCl3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)
(3)InChIKey: FVFYTPFJDMYLJS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5HCl3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)
(5)Std. InChIKey: FVFYTPFJDMYLJS-UHFFFAOYSA-N