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2-(4,6-Dichloropyrimidin-2-yl)acetonitrile

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Name

2-(4,6-Dichloropyrimidin-2-yl)acetonitrile

EINECS 200-258-5
CAS No. 63155-43-1 Density 1.492 g/cm3
PSA 49.57000 LogP 1.84948
Solubility N/A Melting Point N/A
Formula C6H3Cl2N3 Boiling Point 305.9 °C at 760 mmHg
Molecular Weight 188.01412 Flash Point 138.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63155-43-1 (2-(4,6-Dichloropyrimidin-2-yl)acetonitrile) Hazard Symbols N/A
Synonyms

2-(4,6-dichloropyrimidin-2-yl)acetonitrile

 

2-(4,6-Dichloropyrimidin-2-yl)acetonitrile Specification

This chemical is called 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile, and its systematic name is (4,6-dichloropyrimidin-2-yl)acetonitrile. With the molecular formula of C6H3Cl2N3, its molecular weight is 188.01412. The CAS registry number of this chemical is 63155-43-1.

Other characteristics of the 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile can be summarised as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 49.57 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 41.68 cm3; (9)Molar Volume: 125.9 cm3; (10)Polarizability: 16.52×10-24cm3; (11)Surface Tension: 61 dyne/cm; (12)Density: 1.492 g/cm3; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 54.64 kJ/mol; (15)Boiling Point: 305.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000796 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#CCc1nc(Cl)cc(Cl)n1
2.InChI: InChI=1/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9/h3H,1H2
3.InChIKey: VUULABSLYIJIKR-UHFFFAOYAN

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