3-CHLOROTHIOPHENE

The 3-Chlorothiophene is an organic compound with the formula C₄H₃ClS. The IUPAC name of this chemical is 3-chlorothiophene. With the CAS registry number 17249-80-8, it is also named as Thiophene, 3-chloro-. The product's categories are Thiophenes; Thiophene&Benzothiophene; Thiophens; Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research); Thiophen;Halogenated Heterocycles; Heterocyclic Building Blocks; ThiophenesBuilding Blocks. Besides, it is a clear colorless to light yellow liquid, which should be stored in a closed dark and dry place at room temperature.

Physical properties about 3-Chlorothiophene are: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 51.08; (5)ACD/BCF (pH 7.4): 51.08; (6)ACD/KOC (pH 5.5): 581.3; (7)ACD/KOC (pH 7.4): 581.3; (8)Polar Surface Area: 28.24 Å²; (9)Index of Refraction: 1.563; (10)Molar Refractivity: 29.53 cm³; (11)Molar Volume: 90.8 cm³; (12)Polarizability: 11.7×10^-24cm³; (13)Surface Tension: 38.4 dyne/cm; (14)Density: 1.305 g/cm³; (15)Flash Point: 37.2 °C; (16)Enthalpy of Vaporization: 35.61 kJ/mol; (17)Boiling Point: 133.9 °C at 760 mmHg; (18)Vapour Pressure: 10.2 mmHg at 25°C.

Uses of 3-Chlorothiophene: it can be used to produce 2-bromo-3-chlorothiophene by heating. It will need reagent N-bromosuccinimide and solvent CHCl₃, acetic acid with reaction time of 1 hour. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and may cause harm to the unborn child. Please keep container tightly closed and in a well-ventilated place and keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and avoid exposure - obtain special instructions before use. 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: Clc1ccsc1
(2)InChI: InChI=1/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
(3)InChIKey: QUBJDMPBDURTJT-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
(5)Std. InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N