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2-Bromothiophene
Product Name:

2-Bromothiophene

CAS No.:
1003-09-4
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Product Introduction

The 2-Bromothiophene(casno:1003-09-4) is an organic compound with the formula C4H3BrS. The IUPAC name of this chemical is 2-bromothiophene. With the CAS registry number 1003-09-4, it is also named as Bromothiophene. The product's categories are Thiophenes; Halides; Thiophenes & Benzothiophenes; Thiophene & Benzothiophene; Thiophenes & Benzothiophenes. Besides, 2-Bromothiophene(casno:1003-09-4) is a colorless to light yellow transparent liquid, which should be stored in a closed dark and cool place. 2-Bromothiophene(casno:1003-09-4) can be used for organic synthesis and pharmaceutical intermediates.

2-Bromothiophene(casno:1003-09-4) Physical properties

(1)ACD/LogP: 2.94;
(2)ACD/LogD (pH 5.5): 2.944;
(3)ACD/LogD (pH 7.4): 2.944;
(4)ACD/BCF (pH 5.5): 101.742;
(5)ACD/BCF (pH 7.4): 101.742;
(6)ACD/KOC (pH 5.5): 951.875;
(7)ACD/KOC (pH 7.4): 951.875;
(8)Polar Surface Area: 28.24 ?2;
(9)Index of Refraction: 1.595;
(10)Molar Refractivity: 32.327 cm3;
(11)Molar Volume: 95.098 cm3;
(12)Polarizability: 12.816×10-24cm3;
(13)Surface Tension: 41.199 dyne/cm;
(14)Density: 1.714 g/cm3;
(15)Flash Point: 47.052 °C;
(16)Enthalpy of Vaporization: 37.095 kJ/mol;
(17)Boiling Point: 149.999 °C at 760 mmHg;
(18)Vapour Pressure: 4.993 mmHg at 25°C.

2-Bromothiophene(casno:1003-09-4) Preparation

2-Bromothiophene(casno:1003-09-4) can be prepared by thiophene. This reaction will need reagent PyHBrCl2 and solvent aq. methanol. The reaction time is 5 min with reaction temperature of 20 °C. The yield is about 74%.

2-Bromothiophene


2-Bromothiophene(casno:1003-09-4) Uses

2-Bromothiophene(casno:1003-09-4) can be used to produce 4-(5-bromo-thiophen-2-yl)-4-oxo-butyric acid at temperature of -5 - 20 °C. This reaction is a kind of Friedel-Crafts acylation. 2-Bromothiophene(casno:1003-09-4) will need reagent AlCl3 and solvent nitrobenzene. The yield is about 95%.
2-Bromothiophene
When you are using 2-Bromothiophene(casno:1003-09-4), please be cautious about it as the following

2-Bromothiophene(casno:1003-09-4) is flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking.2-Bromothiophene(casno:1003-09-4) is toxic by inhalation, in contact with skin and if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 and risk of serious damage to eyes. 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: c1cc(sc1)Br
(2)InChI: InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
(3)InChIKey: TUCRZHGAIRVWTI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
(5)Std. InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N

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