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| CAS No.: | 884495-39-0 |
|---|---|
| Name: | 5-BROMO-2-METHOXY-3-CYANOPYRIDINE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C6H7BrN2O |
| Molecular Weight: | 203.038 |
| Synonyms: | 3-Amino-5-bromo-2-methoxypyridine;5-Bromo-2-(methyloxy)-3-pyridinamine; |
| Density: | 1.622 g/cm3 |
| Melting Point: | 53-55℃ |
| Boiling Point: | 284.5 °C at 760 mmHg |
| Flash Point: | 125.9 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41-43 |
| Safety: | 26-36/37/39 |
| PSA: | 48.14000 |
| LogP: | 2.01610 |
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Specification
This chemical is called 3-Pyridinamine, 5-bromo-2-methoxy-, and it can also be named as 3-Amino-5-bromo-2-methoxypyridine. With the molecular formula of C6H7BrN2O, its molecular weight is 203.04. The CAS registry number of this chemical is 884495-39-0, and its product category is Pyridine.
Other characteristics of the 3-Pyridinamine, 5-bromo-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.14 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 42.94 cm3; (11)Molar Volume: 125.1 cm3; (12)Polarizability: 17.02×10-24cm3; (13)Surface Tension: 51 dyne/cm; (14)Density: 1.622 g/cm3; (15)Flash Point: 125.9 °C; (16)Enthalpy of Vaporization: 52.35 kJ/mol; (17)Boiling Point: 284.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00296 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1c(cc(cn1)Br)N
2.InChI: InChI=1/C6H7BrN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
3.InChIKey: HJOOFLFWIISCAI-UHFFFAOYAC