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CAS No.: | 82257-09-8 |
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Name: | 3-BROMO-4-METHOXY-PYRIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.024 |
Synonyms: | 3-Bromo-4-methoxypyridine;pyridine, 3-bromo-4-methoxy-; |
Density: | 1.53 g/cm3 |
Boiling Point: | 214.5 °C at 760 mmHg |
Flash Point: | 83.5 °C |
Solubility: | Slightly soluble in water (9.8 g/L). |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 22.12000 |
LogP: | 1.85270 |
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The Pyridine,3-bromo-4-methoxy-, with the CAS registry number 82257-09-8, has the systematic name of 3-bromo-4-methoxypyridine. It belongs to the product category of Pyridine . And the molecular formula of the chemical is C6H6BrNO.
The characteristics of Pyridine,3-bromo-4-methoxy- are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 14.35; (7)ACD/KOC (pH 5.5): 223.47; (8)ACD/KOC (pH 7.4): 234.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.34×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 83.5 °C; (20)Enthalpy of Vaporization: 43.24 kJ/mol; (21)Boiling Point: 214.5 °C at 760 mmHg; (22)Vapour Pressure: 0.227 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(OC)ccnc1
(2)InChI: InChI=1/C6H6BrNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
(3)InChIKey: DSFJKFHIMBVWAV-UHFFFAOYAT