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Name |
5-Bromo-4-butylpyrimidine |
EINECS | N/A |
CAS No. | 4595-64-6 | Density | 1.362g/cm3 |
PSA | 25.78000 | LogP | 2.58170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11BrN2 | Boiling Point | 268.2 °C at 760 mmHg |
Molecular Weight | 215.09 | Flash Point | 116 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Bromo-4-butylpyrimidine;pyrimidine, 5-bromo-4-butyl-; |
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