5-Bromo-2-isopropoxypyridine supplier

Name
5-Bromo-2-isopropoxypyridine
EINECS
CAS No. 870521-31-6
Article Data20
CAS DataBase
Density 1.383 g/cm³
Solubility
Melting Point 45.61 °C (Mean or Weighted MP)
Formula C₈H₁₀BrNO
Boiling Point 228.345 °C at 760 mmHg
Molecular Weight 216.077
Flash Point 91.9 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms Pyridine, 5-bromo-2-(1-methylethoxy)-;5-Bromo-2-(propan-2-yloxy)pyridine;
PSA 22.12000
LogP 2.63130

5-Bromo-2-isopropoxypyridine Specification

The 5-Bromo-2-isopropoxypyridine, with the CAS registry number of 870521-31-6, belongs to the product category of Boronic Acid. This chemical's molecular formula is C₈H₁₀BrNO and molecular weight is 216.08. What's more, its systematic name is called 5-Bromo-2-(propan-2-yloxy)pyridine.

Physical properties about 5-Bromo-2-isopropoxypyridine are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 263; (6)ACD/BCF (pH 7.4): 263; (7)ACD/KOC (pH 5.5): 1879; (8)ACD/KOC (pH 7.4): 1880; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 47.937 cm³; (15)Molar Volume: 156.234 cm³; (16)Polarizability: 19.004 ×10^-24 cm³; (17)Surface Tension: 37.083 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 91.9 °C; (20)Enthalpy of Vaporization: 44.604 kJ/mol; (21)Boiling Point: 228.345 °C at 760 mmHg; (22)Melting Point: 45.61 °C (Mean or Weighted MP); (23)Vapour Pressure: 0.111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)Oc1ccc(Br)cn1
(2) InChI: InChI=1/C8H10BrNO/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3
(3) InChIKey: FSZRSTNRZUIEMA-UHFFFAOYAY

Product Name

5-Bromo-2-isopropoxypyridine

5-Bromo-2-isopropoxypyridine Specification

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