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2,4-Dichloro-5,6-trimethylenepyrimidine

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Name

2,4-Dichloro-5,6-trimethylenepyrimidine

EINECS N/A
CAS No. 5466-43-3 Density 1.466 g/cm3
PSA 25.78000 LogP 2.27210
Solubility N/A Melting Point 70-72ºC
Formula C7H6Cl2N2 Boiling Point 306.7 °C at 760 mmHg
Molecular Weight 189.044 Flash Point 168.1 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 5466-43-3 (2,4-DICHLORO-6,7-DIHYDRO-5H-CYCLOPENTAPYRIMIDINE) Hazard Symbols Xn
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;

Article Data 29

2,4-Dichloro-5,6-trimethylenepyrimidine Specification

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

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