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CAS No.: | 873331-73-8 |
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Name: | Pyrimidine, 5-bromo-2-ethyl- (9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H7BrN2 |
Molecular Weight: | 187.039 |
Synonyms: | Pyrimidine, 5-bromo-2-ethyl- (9CI);5-Bromo-2-ethylpyrimidine;PyriMidine, 5-broMo-2-ethyl- |
Density: | 1.498 g/cm3 |
Boiling Point: | 211.751 °C at 760 mmHg |
Flash Point: | 81.864 °C |
PSA: | 25.78000 |
LogP: | 1.80150 |
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The Pyrimidine,5-bromo-2-ethyl-, with the CAS registry number 873331-73-8, belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H7BrN2 and molecular weight is 187.04. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-2-ethylpyrimidine.
Physical properties about Pyrimidine,5-bromo-2-ethyl- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.85; (6)ACD/BCF (pH 7.4): 7.85; (7)ACD/KOC (pH 5.5): 152.11; (8)ACD/KOC (pH 7.4): 152.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 39.675 cm3; (15)Molar Volume: 124.883 cm3; (16)Polarizability: 15.728×10-24cm3; (17)Surface Tension: 44.563 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 81.864 °C; (20)Enthalpy of Vaporization: 42.978 kJ/mol; (21)Boiling Point: 211.751 °C at 760 mmHg; (22)Vapour Pressure: 0.261 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ncc(cn1)Br
(2) InChI: InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
(3) InChIKey: SQOJDBHJUUGQJP-UHFFFAOYSA-N