2-BROMO-5-CHLORO-3-METHYLBENZO[B]THIOPHENE

The Benzo[b]thiophene,2-bromo-5-chloro-3-methyl-, with the CAS registry number 175203-60-8, is also known as 2-Bromo-5-chloro-3-methylbenzo[b]thiophene. It belongs to the product categories of Halides; Thiophenes & Benzothiophenes; Thiophenes & Benzothiophenes. This chemical's molecular formula is C₉H₆BrClS and molecular weight is 261.5659. What's more, its systematic name is called 2-Bromo-5-chloro-3-methyl-1-benzothiophene.

Physical properties about Benzo[b]thiophene,2-bromo-5-chloro-3-methyl- are: (1)ACD/LogP: 6.21; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.21; (4)ACD/LogD (pH 7.4): 6.21; (5)ACD/BCF (pH 5.5): 30705.32; (6)ACD/BCF (pH 7.4): 30705.32; (7)ACD/KOC (pH 5.5): 56693.32; (8)ACD/KOC (pH 7.4): 56693.32; (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: 1.685; (14)Molar Refractivity: 59.88 cm³; (15)Molar Volume: 157.4 cm³; (16)Polarizability: 23.74×10^-24 cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.661 g/cm³; (19)Flash Point: 157.3 °C; (20)Enthalpy of Vaporization: 55.67 kJ/mol; (21)Boiling Point: 336.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000218 mmHg at 25 °C; (23)Melting Point: 104 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(sc(Br)c1C)cc2
(2) InChI: InChI=1/C9H6BrClS/c1-5-7-4-6(11)2-3-8(7)12-9(5)10/h2-4H,1H3
(3) InChIKey: RWFPSUKDYYBMHU-UHFFFAOYAD