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Cas Database |
| Name |
4-Bromo-2,6-diethylpyridine |
EINECS | N/A |
| CAS No. | 877133-54-5 | Density | 1.301g/cm3 |
| PSA | 12.89000 | LogP | 2.96890 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H12BrN | Boiling Point | 243 °C at 760 mmHg |
| Molecular Weight | 214.105 | Flash Point | 100.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Bromo-2,6-diethylpyridine; |
Article Data | 5 |
4-Bromo-2,6-diethylpyridine Specification
The 4-Bromo-2,6-diethylpyridine with cas registry number of 877133-54-5, has the systematic name of 4-bromo-2,6-diethyl-pyridine.
Physical properties about this chemical are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 216.25; (6)ACD/BCF (pH 7.4): 279.1; (7)ACD/KOC (pH 5.5): 1517.12; (8)ACD/KOC (pH 7.4): 1958.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 51.13 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 20.27×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Enthalpy of Vaporization: 46.06 kJ/mol; (19)Vapour Pressure: 0.0512 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(cc(n1)CC)Br;
(2)InChI: InChI=1/C9H12BrN/c1-3-8-5-7(10)6-9(4-2)11-8/h5-6H,3-4H2,1-2H3;
(3)InChIKey: QAIRPCMWTLMPCW-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C9H12BrN/c1-3-8-5-7(10)6-9(4-2)11-8/h5-6H,3-4H2,1-2H3;
(5)Std. InChIKey: QAIRPCMWTLMPCW-UHFFFAOYSA-N
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