Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine |
EINECS | N/A |
CAS No. | 1214377-42-0 | Density | 1.637 g/cm3 |
PSA | 22.12000 | LogP | 2.87150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrF3NO | Boiling Point | 208 °C at 760 mmHg |
Molecular Weight | 256.02 | Flash Point | 79.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyridine, 5-bromo-2-methoxy-3-(trifluoromethyl)-; |
Article Data | 6 |
The chemical with CAS registry number of 1214377-42-0 is known as 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine. The systematic name is Pyridine, 5-bromo-2-methoxy-3-(trifluoromethyl)-. In addition, the formula is C7H5BrF3NO and the molecular weight is 256.02.
Physical properties about 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 201.87; (6)ACD/BCF (pH 7.4): 201.87; (7)ACD/KOC (pH 5.5): 1554.46; (8)ACD/KOC (pH 7.4): 1554.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 43.69 cm3; (15)Molar Volume: 156.3 cm3; (16)Polarizability: 17.32×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 1.637 g/cm3; (19)Flash Point: 79.6 °C; (20)Enthalpy of Vaporization: 42.61 kJ/mol; (21)Boiling Point: 208 °C at 760 mmHg; (22)Vapour Pressure: 0.316 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: COc1c(cc(cn1)Br)C(F)(F)F
2. InChI: InChI=1/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
3. InChIKey: ZIOFHXRZJCIBCO-UHFFFAOYAT
4. Std. InChI: InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
5. Std. InChIKey: ZIOFHXRZJCIBCO-UHFFFAOYSA-N