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Name |
Pyrimidine,2-chloro-5-(4-chlorophenyl)- |
EINECS | N/A |
CAS No. | 27956-40-7 | Density | 1.363 g/cm3 |
PSA | 25.78000 | LogP | 3.45040 |
Solubility | N/A | Melting Point |
208-212 ºC |
Formula | C10H6Cl2N2 | Boiling Point | 396 °C at 760 mmHg |
Molecular Weight | 225.07 | Flash Point | 225.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrimidine,2-chloro-5-(p-chlorophenyl)- (8CI);2-Chloro-5-(4-chlorophenyl)pyrimidine; |
Article Data | 2 |
The Pyrimidine,2-chloro-5-(4-chlorophenyl)-, with the CAS registry number 27956-40-7, is also known as Pyrimidine,2-chloro-5-(p-chlorophenyl)- (8CI). This chemical's molecular formula is C10H6Cl2N2 and formula weight is 225.07. What's more, its systematic name is 2-chloro-5-(4-chlorophenyl)pyrimidine.
Physical properties of Pyrimidine,2-chloro-5-(4-chlorophenyl)- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/BCF (pH 5.5): 64.95; (5)ACD/KOC (pH 5.5): 690.3; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.604; (11)Molar Refractivity: 56.81 cm3; (12)Molar Volume: 165 cm3; (13)Surface Tension: 50.7 dyne/cm; (14)Density: 1.363 g/cm3; (15)Flash Point: 225.5 °C; (16)Enthalpy of Vaporization: 62.1 kJ/mol; (17)Boiling Point: 396 °C at 760 mmHg; (18)Vapour Pressure: 4.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncc(c1ccc(Cl)cc1)cn2
(2)InChI: InChI=1S/C10H6Cl2N2/c11-9-3-1-7(2-4-9)8-5-13-10(12)14-6-8/h1-6H
(3)InChIKey: BQEPTIIJSKEJMX-UHFFFAOYSA-N