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| CAS No.: | 51933-78-9 |
|---|---|
| Name: | 5-BROMO-2-METHYLSULFANYL-PYRIDINE |
| Article Data: | 26 |
| Molecular Structure: | |
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|
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| Formula: | C6H6BrNS |
| Molecular Weight: | 204.09 |
| Synonyms: | 2-Methylthio-5-bromopyridine;3-Bromo-6-(methylsulfanyl)pyridine;5-Bromo-2-(methylthio)pyridine;5-Bromo-2-methylsulfanylpyridine; |
| EINECS: | 205-525-8 |
| Density: | 1.61 g/cm3 |
| Melting Point: | 36-41 °C |
| Boiling Point: | 255.8 °C at 760 mmHg |
| Flash Point: | 108.5 |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 38.19000 |
| LogP: | 2.56600 |
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Specification
The 5-Bromo-2-methylthiopyridine, with the CAS registry number 51933-78-9, is also called 5-Bromo-2-(methylthio)pyridine. It belongs to the product category of Pyridines, and should be stored at dry and cool environment. And the molecular formula of the chemical is C6H6BrNS.
The characteristics of 5-Bromo-2-methylthiopyridine are as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.79; (6)ACD/BCF (pH 7.4): 107.8; (7)ACD/KOC (pH 5.5): 992.03; (8)ACD/KOC (pH 7.4): 992.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.19 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 44.91 cm3; (15)Molar Volume: 126.2 cm3; (16)Polarizability: 17.8×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 47.34 kJ/mol; (21)Boiling Point: 255.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0256 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cnc(SC)cc1
(2)InChI: InChI=1/C6H6BrNS/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
(3)InChIKey: CFBYLVDSPYTKPR-UHFFFAOYAK