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Pyridine,6-bromo-2-methoxy-3-nitro-

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Name

Pyridine,6-bromo-2-methoxy-3-nitro-

EINECS N/A
CAS No. 58819-77-5 Density 1.73 g/cm3
PSA 67.94000 LogP 2.28410
Solubility N/A Melting Point 92 °C(Solv: benzene (71-43-2))
Formula C6H5BrN2O3 Boiling Point 281.982 °C at 760 mmHg
Molecular Weight 233.021 Flash Point 124.339 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 58819-77-5 (6-BROMO-2-METHOXY-3-NITRO-PYRIDINE) Hazard Symbols N/A
Synonyms

6-Bromo-2-methoxy-3-nitropyridine;

Article Data 4

Pyridine,6-bromo-2-methoxy-3-nitro- Specification

The Pyridine, 6-bromo-2-methoxy-3-nitro-, with the CAS registry number of 58819-77-5, is also known as 2-Methoxy-3-Nitro-6-Bromopyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5BrN2O3 and molecular weight is 233.02. What's more, its IUPAC name is 5-Bromo-2-methoxy-3-nitropyridine.

Physical properties about Pyridine, 6-bromo-2-methoxy-3-nitro- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.257; (4)ACD/LogD (pH 7.4): 2.257; (5)ACD/BCF (pH 5.5): 30.573; (6)ACD/BCF (pH 7.4): 30.573; (7)ACD/KOC (pH 5.5): 402.549; (8)ACD/KOC (pH 7.4): 402.549; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 45.258 cm3; (15)Molar Volume: 134.686 cm3; (16)Surface Tension: 53.389 dyne/cm; (17)Density: 1.73 g/cm3; (18)Flash Point: 124.339 °C; (19)Enthalpy of Vaporization: 49.99 kJ/mol; (20)Boiling Point: 281.982 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(cc(cn1)Br)N(=O)=O
(2) InChI: InChI=1/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
(3) InChIKey: YRVHFGOAEVWBNS-UHFFFAOYAQ

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