Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pyridine,3-bromo-5-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 130722-95-1 | Density | 1.439 g/cm3 |
PSA | 22.12000 | LogP | 3.42310 |
Solubility | N/A | Melting Point |
69.0 to 73.0 °C |
Formula | C12H10BrNO | Boiling Point | 343.677 °C at 760 mmHg |
Molecular Weight | 264.121 | Flash Point | 161.65 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Benzyloxy-5-bromopyridine;3-Bromo-5-(benzyloxy)pyridine;5-Benzyloxy-3-bromopyridine; |
Article Data | 55 |
The Pyridine, 3-bromo-5-(phenylmethoxy)-, with the CAS registry number 130722-95-1, is also known as 3-(Benzyloxy)-5-bromopyridine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H10BrNO and molecular weight is 264.12. What's more, its IUPAC name is 3-Bromo-5-phenylmethoxypyridine.
Physical properties about Pyridine, 3-bromo-5-(phenylmethoxy)- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 519; (6)ACD/BCF (pH 7.4): 519; (7)ACD/KOC (pH 5.5): 3055; (8)ACD/KOC (pH 7.4): 3057; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 63.2 cm3; (15)Molar Volume: 183.546 cm3; (16)Polarizability: 25.055×10-24 cm3; (17)Surface Tension: 47.059 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 161.65 °C; (20)Enthalpy of Vaporization: 56.432 kJ/mol; (21)Boiling Point: 343.677 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc(OCc1ccccc1)cnc2
(2) InChI: InChI=1/C12H10BrNO/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
(3) InChIKey: YSHKYZAWTWKQKK-UHFFFAOYAI