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Benzo[b]thiophene,2-bromo-5-chloro-3-methyl-

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Name

Benzo[b]thiophene,2-bromo-5-chloro-3-methyl-

EINECS N/A
CAS No. 175203-60-8 Density 1.661 g/cm3
PSA 28.24000 LogP 4.62560
Solubility N/A Melting Point 104 °C
Formula C9H6BrClS Boiling Point 336.5 °C at 760 mmHg
Molecular Weight 261.5659 Flash Point 157.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175203-60-8 (2-BROMO-5-CHLORO-3-METHYLBENZO[B]THIOPHENE) Hazard Symbols IrritantXi
Synonyms

2-Bromo-5-chloro-3-methylbenzo[b]thiophene;

 

Benzo[b]thiophene,2-bromo-5-chloro-3-methyl- Specification

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

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