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50720-12-2

Basic Information
CAS No.: 50720-12-2
Name: Pyridine,3-bromo-5-methoxy-
Molecular Structure:
Molecular Structure of 50720-12-2 (Pyridine,3-bromo-5-methoxy-)
Formula: C6H6BrNO
Molecular Weight: 188.02
Synonyms: 3-Bromo-5-(methyloxy)pyridine;3-Methoxy-5-bromopyridine;5-Bromo-3-methoxypyridine;5-Methoxy-3-bromopyridine;3-Bromo-5-methoxy-pyridine;
EINECS: -0
Density: 1.53 g/cm3
Melting Point: 31-35 °C(lit.)
Boiling Point: 212.2 °C at 760 mmHg
Flash Point: 102 °C
Solubility:
Appearance: white to yellow low melting solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-41
Safety: 26-39
Transport Information:
PSA: 22.12000
LogP: 1.85270
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    3-Bromo-5-methoxypyridine Chemical Properties Melting point 31-35 °C (lit.) Boiling point 212.2±20.0 °C(Predicted) density 1.530±0.06 g/cm3(Predicted) Fp 215 °F pka 2.26±0.10(Predicted) form Low

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    50720-12-2

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Specification

The 3-Bromo-5-methoxypyridine, with the cas register number 50720-12-2, has other names as 3-bromo-5-methoxypyridine; 3-methoxy-5-bromopyridine; 5-bromopyridin-3-yl methyl ether; 5-bromo-3-methoxypyridine; 5-methoxy-3-bromopyridine; aurora ka-6712; 3-bromo-5-methoxypyridine cas:50720-12-2; 3-bromo-5-methoxypyridine,97%.

The characteristics of this chemical could be summarized as: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.901; (3)ACD/LogD (pH 7.4): 1.901; (4)ACD/BCF (pH 5.5): 16.385; (5)ACD/BCF (pH 7.4): 16.394; (6)ACD/KOC (pH 5.5): 257.541; (7)ACD/KOC (pH 7.4): 257.689; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 38.713 cm3; (13)Molar Volume: 122.844 cm3; (14)Polarizability: 15.347× 10-24 cm3; (15)Surface Tension: 39.819 dyne/cm; (16)Density: 1.531 g/cm3; (17)Flash Point: 82.144 °C; (18)Enthalpy of Vaporization: 43.023 kJ/mol; (19)Boiling Point: 212.213 °C at 760 mmHg; (20)Vapour Pressure: 0.255 mmHg at 25°C.

This is a kind of light yellow solid. Being a kind of harmful chemical, it may cause damage to health. If harmful, it will be very harmful. And it is irritant and it has the risk of serious damage to eyes. Besides, it may cause inflammation to the skin or other mucous membranes. So while dealing with this kind of chemical, we should be very cautious and had better take the following instructions. Wear eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you could also go to WGK Germany  3 to get much more information.

As for its product categories, they are various, including blocks; bromides; pyridines; halides; halogenated; organohalides; boronic acid; c6heterocyclic building blocks; halogenated heterocycles; heterocyclic building blocks, while its preparation products are 5-methoxypyridine-3-boronic acid. When store it, it should be kept in the cool, dry and well-ventilated storeroom.

Additionally, you could convert the following data information into the molecular structure:
SMILES:COc1cc(cnc1)Br
InChI:InChI=1/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey:FZWUIWQMJFAWJW-UHFFFAOYAC