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5,5'-Bi-1,2,4-triazine,3,3'-dimethoxy-

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Name

5,5'-Bi-1,2,4-triazine,3,3'-dimethoxy-

EINECS N/A
CAS No. 42836-87-3 Density 1.358 g/cm3
PSA 95.80000 LogP -0.25920
Solubility N/A Melting Point N/A
Formula C8H8N6O2 Boiling Point 470.7 °C at 760 mmHg
Molecular Weight 220.191 Flash Point 168.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 42836-87-3 (3,3'-Dimethoxy-5,5'-bi-1,2,4-triazine) Hazard Symbols N/A
Synonyms

3-Methoxy-5-(3-methoxy-1, 2, 4-triazin-5-yl)-1, 2, 4-triazine;

Article Data 8

5,5'-Bi-1,2,4-triazine,3,3'-dimethoxy- Specification

The 5, 5'-Bi-1, 2, 4-triazine, 3, 3'-dimethoxy-, with the CAS registry number of 42836-87-3, is also known as 3, 3'-Dimethoxy-5, 5'-bi-1, 2, 4-triazine. This chemical's molecular formula is C8H8N6O2 and molecular weight is 220.18812. What's more, its IUPAC name is 3-Methoxy-5-(3-methoxy-1, 2, 4-triazin-5-yl)-1, 2, 4-triazine.

Physical properties about 5, 5'-Bi-1, 2, 4-triazine, 3, 3'-dimethoxy- are: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 95.8 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 52.74 cm3; (9)Molar Volume: 162 cm3; (10)Surface Tension: 64.2 dyne/cm; (11)Density: 1.358 g/cm3; (12)Flash Point: 168.2 °C; (13)Enthalpy of Vaporization: 70.52 kJ/mol; (14)Boiling Point: 470.7 °C at 760 mmHg; (15)Vapour Pressure: 1.41E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(OC)nncc1c2nc(OC)nnc2
(2) InChI: InChI=1/C8H8N6O2/c1-15-7-11-5(3-9-13-7)6-4-10-14-8(12-6)16-2/h3-4H,1-2H3
(3) InChIKey: NUEBUZGZTDFPMP-UHFFFAOYAC

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