Pyridine,2-(3-bromo-4-methoxyphenyl)- supplier

Name
2-(3-BROMO-4-METHOXYPHENYL)PYRIDINE
EINECS
CAS No. 168823-65-2
Article Data3
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀BrNO
Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 264.121
Flash Point 162.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Bromo-4-methoxyphenyl)pyridine;
PSA 22.12000
LogP 3.51970

Pyridine,2-(3-bromo-4-methoxyphenyl)- Specification

The Pyridine, 2-(3-bromo-4-methoxyphenyl)- has CAS registry number 168823-65-2. It belongs to the product categories of API Intermediates. This chemical's molecular formula is C₁₂H₁₀BrNO and molecular weight is 264.12. What's more, its systematic name is 2-(3-Bromo-4-methoxyphenyl)pyridine.

Physical properties about Pyridine, 2-(3-bromo-4-methoxyphenyl)- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 81.71; (6)ACD/BCF (pH 7.4): 97.88; (7)ACD/KOC (pH 5.5): 772.4; (8)ACD/KOC (pH 7.4): 925.2; (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: 1.587; (14)Molar Refractivity: 63.3 cm³; (15)Molar Volume: 188.1 cm³; (16)Polarizability: 25.09×10^-24 cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 162.3 °C; (20)Enthalpy of Vaporization: 56.55 kJ/mol; (21)Boiling Point: 344.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1Br)c2ccccn2
(2) InChI: InChI=1/C12H10BrNO/c1-15-12-6-5-9(8-10(12)13)11-4-2-3-7-14-11/h2-8H,1H3
(3) InChIKey: LYSIPJHKCFWZRU-UHFFFAOYAY

Product Name

2-(3-BROMO-4-METHOXYPHENYL)PYRIDINE

Pyridine,2-(3-bromo-4-methoxyphenyl)- Specification

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