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1780-38-7

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Basic Information
CAS No.: 1780-38-7
Name: Pyrimidine, 2,4,6-trichloro-5-ethyl-
Article Data: 10
Molecular Structure:
Molecular Structure of 1780-38-7 (Pyrimidine, 2,4,6-trichloro-5-ethyl-)
Formula: C6H5Cl3N2
Molecular Weight: 211.478
Synonyms: 2,4,6-Trichloro-5-ethylpyrimidine;
Density: 1.463 g/cm3
Melting Point: 75-77 °C(Solv: ethyl ether (60-29-7); methanol (67-56-1))
Boiling Point: 244.2 °C at 760 mmHg
Flash Point: 125.1 °C
PSA: 25.78000
LogP: 2.99920
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Specification

The Pyrimidine, 2, 4, 6-trichloro-5-ethyl-, with the CAS registry number 1780-38-7, is also known as NSC 67799. It belongs to the product category of API Intermediates. This chemical's molecular formula is C6H5Cl3N2 and molecular weight is 211.48. What's more, its IUPAC name is 2, 4, 6-Trichloro-5-ethylpyrimidine.

Physical properties about Pyrimidine, 2, 4, 6-trichloro-5-ethyl- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 46.66 cm3; (9)Molar Volume: 144.5 cm3; (10)Polarizability: 18.5×10-24 cm3; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.463 g/cm3; (13)Flash Point: 125.1 °C; (14)Enthalpy of Vaporization: 46.17 kJ/mol; (15)Boiling Point: 244.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0481 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(Cl)nc(Cl)c1CC
(2) InChI: InChI=1/C6H5Cl3N2/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3
(3) InChIKey: KMPDRUUXTSYMJD-UHFFFAOYAW