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| CAS No.: | 19875-05-9 |
|---|---|
| Name: | 2-Chloromethyl-4,6-dichloropyrimidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H3Cl3N2 |
| Molecular Weight: | 197.451 |
| Synonyms: | 4,6-Dichloro-2-(chloromethyl)pyrimidine; |
| Density: | 1.548 g/cm3 |
| Melting Point: | 45 °C |
| Boiling Point: | 248.5 °C at 760 mmHg |
| Flash Point: | 128.1 °C |
| PSA: | 25.78000 |
| LogP: | 2.52220 |
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- Total:17 Page 1 of 1 1
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Specification
The Pyrimidine, 4, 6-dichloro-2-(chloromethyl)-, with the CAS registry number 19875-05-9, is also known as 2-Chloromethyl-4, 6-dichloropyrimidine. This chemical's molecular formula is C5H3Cl3N2 and molecular weight is 197.45. What's more, its systematic name is 4, 6-Dichloro-2-(chloromethyl)pyrimidine.
Physical properties about Pyrimidine, 4, 6-dichloro-2-(chloromethyl)- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.65; (6)ACD/BCF (pH 7.4): 6.65; (7)ACD/KOC (pH 5.5): 135.01; (8)ACD/KOC (pH 7.4): 135.01; (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: 1.572; (14)Molar Refractivity: 41.99 cm3; (15)Molar Volume: 127.4 cm3; (16)Polarizability: 16.64×10-24 cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.548 g/cm3; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 46.61 kJ/mol; (21)Boiling Point: 248.5 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nc(nc1Cl)CCl)Cl
(2) InChI: InChI=1/C5H3Cl3N2/c6-2-5-9-3(7)1-4(8)10-5/h1H,2H2
(3) InChIKey: OGXCXLWVUKSJGE-UHFFFAOYAU