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CAS No.: | 5466-43-3 |
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Name: | 2,4-DICHLORO-6,7-DIHYDRO-5H-CYCLOPENTAPYRIMIDINE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C7H6Cl2N2 |
Molecular Weight: | 189.044 |
Synonyms: | 2,4-Dichloro-5,6-trimethylenepyrimidine;2,4-Dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;NSC 27369;2,4-Dichloro-5H,6H,7H-cyclopenta[d]pyrimidine; |
Density: | 1.466 g/cm3 |
Melting Point: | 70-72ºC |
Boiling Point: | 306.7 °C at 760 mmHg |
Flash Point: | 168.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 25.78000 |
LogP: | 2.27210 |
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The 5H-Cyclopentapyrimidine,2,4-dichloro-6,7-dihydro-, with the CAS registry number 5466-43-3, is also known as 2,4-Dichloro-5H,6H,7H-cyclopenta[d]pyrimidine. This chemical's molecular formula is C7H6Cl2N2 and molecular weight is 189.04. What's more, its systematic name is 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
Physical properties of 5H-Cyclopentapyrimidine,2,4-dichloro-6,7-dihydro- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 44.39 cm3; (9)Molar Volume: 128.8 cm3; (10)Polarizability: 17.6×10-24 cm3; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.466 g/cm3; (13)Flash Point: 168.1 °C; (14)Enthalpy of Vaporization: 52.54 kJ/mol; (15)Boiling Point: 306.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00137 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc2c1CCC2
(2)InChI: InChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2
(3)InChIKey: GDHHAOFBLGZCMI-UHFFFAOYSA-N