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| CAS No.: | 6237-95-2 |
|---|---|
| Name: | 4,6-DICHLORO-2-ETHYL-5-NITROPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C6H5Cl2N3O2 |
| Molecular Weight: | 222.031 |
| Synonyms: | Pyrimidine, 4,6-dichloro-2-ethyl-5-nitro-; |
| Density: | 1.537 g/cm3 |
| Boiling Point: | 319.312 °C at 760 mmHg |
| Flash Point: | 146.915 °C |
| PSA: | 71.60000 |
| LogP: | 2.77720 |
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- Total:18 Page 1 of 1 1
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Specification
The 4,6-Dichloro-2-ethyl-5-nitro-pyrimidine, with the CAS registry number 6237-95-2, is also known as Pyrimidine, 4,6-dichloro-2-ethyl-5-nitro-. This chemical's molecular formula is C6H5Cl2N3O2 and molecular weight is 222.02. What's more, its systematic name is the same with its product name.
Physical properties about 4,6-Dichloro-2-ethyl-5-nitro-pyrimidine are: (1)ACD/LogP: 1.9; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.90; (4)ACD/LogD (pH 7.4): 1.90; (5)ACD/BCF (pH 5.5): 16.37; (6)ACD/BCF (pH 7.4): 16.37; (7)ACD/KOC (pH 5.5): 257.36; (8)ACD/KOC (pH 7.4): 257.36; (9)#H bond acceptors: 5; (10) #H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 48.32 cm3; (15)Molar Volume: 144.441 cm3; (16)Polarizability: 19.156×10-24cm3; (17)Surface Tension: 58.453 dyne/cm; (18)Density: 1.537 g/cm3; (19)Flash Point: 146.915 °C; (20)Enthalpy of Vaporization: 53.856 kJ/mol; (21)Boiling Point: 319.312 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(nc(Cl)c1[N+]([O-])=O)CC
(2) InChI: InChI=1S/C6H5Cl2N3O2/c1-2-3-9-5(7)4(11(12)13)6(8)10-3/h2H2,1H3
(3) InChIKey: RBGNCLAOWBJWLD-UHFFFAOYSA-N