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CAS No.: | 4595-64-6 |
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Name: | 5-Bromo-4-butylpyrimidine |
Molecular Structure: | |
Formula: | C8H11BrN2 |
Molecular Weight: | 215.09 |
Synonyms: | 5-Bromo-4-butylpyrimidine;pyrimidine, 5-bromo-4-butyl-; |
Density: | 1.362g/cm3 |
Boiling Point: | 268.2 °C at 760 mmHg |
Flash Point: | 116 °C |
Hazard Symbols: | Xi |
PSA: | 25.78000 |
LogP: | 2.58170 |
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The 5-Bromo-4-butylpyrimidine, with cas registry number 4595-64-6, belongs to the following product categories: (1)blocks; (2)Bromides. It has the systematic name of 5-bromo-4-butyl-pyrimidine. Besides this, it is also called pyrimidine, 5-bromo-4-butyl-.
Physical properties about this chemical are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.532; (10)Molar Refractivity: 48.94 cm3; (11)Molar Volume: 157.8 cm3; (12)Polarizability: 19.4×10-24cm3; (13)Surface Tension: 42.1 dyne/cm; (14)Enthalpy of Vaporization: 48.59 kJ/mol; (15)Vapour Pressure: 0.0129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc1c(cncn1)Br
(2)InChI: InChI=1/C8H11BrN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3
(3)InChIKey: LLPITUMEHNOXPJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H11BrN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3
(5)Std. InChIKey: LLPITUMEHNOXPJ-UHFFFAOYSA-N