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Pyridine,3-bromo-5-(phenylmethoxy)-

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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 Molecular Structure of 130722-95-1 (3-(BENZYLOXY)-5-BROMOPYRIDINE) Hazard Symbols N/A
Synonyms

3-Benzyloxy-5-bromopyridine;3-Bromo-5-(benzyloxy)pyridine;5-Benzyloxy-3-bromopyridine;

Article Data 55

Pyridine,3-bromo-5-(phenylmethoxy)- Specification

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

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