CAS No.877133-54-5,4-Bromo-2,6-diethyl-pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	877133-54-5
Name:	4-Bromo-2,6-diethyl-pyridine
Article Data:	5

Formula:	C₉H₁₂BrN
Molecular Weight:	214.105
Synonyms:	4-Bromo-2,6-diethylpyridine;
Density:	1.301g/cm³
Boiling Point:	243 °C at 760 mmHg
Flash Point:	100.8 °C
PSA:	12.89000
LogP:	2.96890

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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