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Name |
4-Bromo-2-chloropyrimidine |
EINECS | N/A |
CAS No. | 885702-34-1 | Density | 1.86 g/cm3 |
PSA | 25.78000 | LogP | 1.89250 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C4H2BrClN2 | Boiling Point | 291.552 °C at 760 mmHg |
Molecular Weight | 193.43 | Flash Point | 130.126 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
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Hazard Symbols | N/A |
Synonyms |
Pyrimidine, 4-bromo-2-chloro- (9CI);PyriMidine, 4-broMo-2-chloro- |
The 4-Bromo-2-chloropyrimidine, with the CAS registry number 885702-34-1, is also known as Pyrimidine, 4-bromo-2-chloro-. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H2BrClN2 and molecular weight is 193.43. What's more, its systematic name is 4-Bromo-2-chloropyrimidine.
Physical properties of 4-Bromo-2-chloropyrimidine are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.14; (6)ACD/BCF (pH 7.4): 6.14; (7)ACD/KOC (pH 5.5): 127.59; (8)ACD/KOC (pH 7.4): 127.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 35.021 cm3; (15)Molar Volume: 104.016 cm3; (16)Polarizability: 13.883×10-24cm3; (17)Surface Tension: 54.0 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 130.126 °C; (20)Enthalpy of Vaporization: 50.972 kJ/mol; (21)Boiling Point: 291.552 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1Br)Cl
(2)Std. InChI: InChI=1S/C4H2BrClN2/c5-3-1-2-7-4(6)8-3/h1-2H
(3)Std. InChIKey: FBEBVAQOMVWORE-UHFFFAOYSA-N