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CAS No.: | 951884-28-9 |
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Name: | 5-Bromo-4-isopropylpyrimidine |
Molecular Structure: | |
Formula: | C7H9BrN2 |
Molecular Weight: | 201.0638 |
Synonyms: | 5-Bromo-4-(prop-2-yl)pyrimidine |
Density: | 1.414 g/cm3 |
Boiling Point: | 240.3 °C at 760 mmHg |
Flash Point: | 99.2 °C |
PSA: | 25.78000 |
LogP: | 2.36250 |
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The Pyrimidine, 5-bromo-4-(1-methylethyl)-, with the CAS registry number 951884-28-9, belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C7H9BrN2 and molecular weight is 201.0638. Its systematic name is called 5-bromo-4-isopropyl-pyrimidine.
Physical properties of Pyrimidine, 5-bromo-4-(1-methylethyl)-: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.535; (7)Molar Refractivity: 44.31 cm3; (8)Molar Volume: 142.1 cm3; (9)Surface Tension: 41.6 dyne/cm; (10)Density: 1.414 g/cm3; (11)Flash Point: 99.2 °C; (12)Enthalpy of Vaporization: 45.79 kJ/mol; (13)Boiling Point: 240.3 °C at 760 mmHg; (14)Vapour Pressure: 0.0591 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1c(cncn1)Br
(2)InChI: InChI=1/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3
(3)InChIKey: LQPQMMZNSQOAHG-UHFFFAOYAQ