2,3-Dichlorothiophene

The 2,3-Dichlorothiophene is an organic compound with the formula C₄H₂Cl₂S. The IUPAC name of this chemical is 2,3-dichlorothiophene. With the CAS registry number 17249-79-5, it is also named as Thiophene, 2,3-dichloro-. The product's categories are Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks.

Physical properties about 2,3-Dichlorothiophene are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.66; (5)ACD/BCF (pH 7.4): 126.66; (6)ACD/KOC (pH 5.5): 1113.49; (7)ACD/KOC (pH 7.4): 1113.49; (8)Polar Surface Area: 28.24 Å²; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 34.42 cm³; (11)Molar Volume: 102.8 cm³; (12)Polarizability: 13.64×10^-24cm³; (13)Surface Tension: 42.2 dyne/cm; (14)Density: 1.488 g/cm³; (15)Flash Point: 68.9 °C; (16)Enthalpy of Vaporization: 39.04 kJ/mol; (17)Boiling Point: 170.7 °C at 760 mmHg; (18)Vapour Pressure: 1.93 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-thiophene. This reaction will need reagent Cl₂ gas and solvent CCl₄. The reaction time is 45 min with reaction temperature of 0 °C. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccsc1Cl
(2)InChI: InChI=1/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
(3)InChIKey: LVNVLQIXMBTMPH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
(5)Std. InChIKey: LVNVLQIXMBTMPH-UHFFFAOYSA-N