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CAS No.: | 58819-77-5 |
---|---|
Name: | 6-BROMO-2-METHOXY-3-NITRO-PYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H5BrN2O3 |
Molecular Weight: | 233.021 |
Synonyms: | 6-Bromo-2-methoxy-3-nitropyridine; |
Density: | 1.73 g/cm3 |
Melting Point: | 92 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 281.982 °C at 760 mmHg |
Flash Point: | 124.339 °C |
Risk Codes: | 20/21/22 |
Safety: | 26-36/37/39 |
PSA: | 67.94000 |
LogP: | 2.28410 |
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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