2,5-DIBROMO-3-METHYLTHIOPHENE

The 2,5-Dibromo-3-methyl-thiophene, with CAS registry number 13191-36-1, belongs to the following product category: Thiophene. It has the systematic name of 2,5-dibromo-3-methylthiophene. And the chemical formula of this chemical is C₅H₄Br₂S. What's more, its EINECS is 236-147-4.

Physical properties of 2,5-Dibromo-3-methyl-thiophene: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 660.71; (6)ACD/BCF (pH 7.4): 660.71; (7)ACD/KOC (pH 5.5): 3632.15; (8)ACD/KOC (pH 7.4): 3632.15; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 44.84 cm³; (15)Molar Volume: 127.5 cm³; (16)Polarizability: 17.77×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 2.006 g/cm³; (19)Flash Point: 93 °C; (20)Enthalpy of Vaporization: 44.79 kJ/mol; (21)Boiling Point: 230.2 °C at 760 mmHg; (22)Vapour Pressure: 0.101 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-thiophene. This reaction will need reagent N-bromo-succinimide.

When you are using this chemical, please be cautious about it as the following:
The 2,5-Dibromo-3-methyl-thiophene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1sc(Br)c(c1)C
(2)InChI: InChI=1/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
(3)InChIKey: IHFXZROPBCBLLG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
(5)Std. InChIKey: IHFXZROPBCBLLG-UHFFFAOYSA-N