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CAS No.: | 152684-30-5 |
---|---|
Name: | 5-BROMO-2-METHOXY-3-NITRO-PYRIDINE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C6H5BrN2O3 |
Molecular Weight: | 233.021 |
Synonyms: | 5-Bromo-2-(methyloxy)-3-nitropyridine;2-Methoxy-3-Nitro-5-Bromopyridine; |
Density: | 1.73 g/cm3 |
Melting Point: | 88.0 to 92.0 °C |
Boiling Point: | 281.982 °C at 760 mmHg |
Flash Point: | 124.339 °C |
Appearance: | Light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26 |
PSA: | 67.94000 |
LogP: | 2.28410 |
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The 5-Bromo-2-methoxy-3-nitropyridine, with the CAS registry number 152684-30-5, is also called 2-Methoxy-3-Nitro-5-Bromopyridine. It belongs to the following product categories: Blocks; Bromides; Pyridines; Pyridine; Boronic Acid. And the molecular formula of the chemical is C6H5BrN2O3.
The characteristics of this chemical are as followings: (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)Polarizability: 17.942×10-24cm3; (17)Surface Tension: 53.389 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 124.339 °C; (20)Enthalpy of Vaporization: 49.99 kJ/mol; (21)Boiling Point: 281.982 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
Addtionally, the following datas could be converted into the 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