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13106-85-9

Basic Information
CAS No.: 13106-85-9
Name: 2,4,6-TRIMETHOXYPYRIMIDINE
Article Data: 10
Molecular Structure:
Molecular Structure of 13106-85-9 (2,4,6-TRIMETHOXYPYRIMIDINE)
Formula: C7H10N2O3
Molecular Weight: 170.168
Synonyms: 2,4,6-Trimethoxypyrimidine;
Density: 1.15g/cm3
Melting Point: 51-54 °C(lit.)
Boiling Point: 292.3 °C at 760 mmHg
Flash Point: 107.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 53.47000
LogP: 0.50240
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Specification

ThePyrimidine,2,4,6-trimethoxy-, with CAS registry number 13106-85-9, belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Pyrimidines. It has the systematic name of 2,4,6-trimethoxypyrimidine. And the chemical formula of this chemical is C7H10N2O3.

Physical properties of Pyrimidine,2,4,6-trimethoxy-: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.47 Å2; (7)Index of Refraction: 1.486; (8)Molar Refractivity: 42.47 cm3; (9)Molar Volume: 147.8 cm3; (10)Polarizability: 16.83×10-24cm3; (11)Surface Tension: 37.3 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 107.2 °C; (14)Enthalpy of Vaporization: 51.05 kJ/mol; (15)Boiling Point: 292.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00323 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Pyrimidine,2,4,6-trimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(OC)nc(OC)c1)C
(2)InChI: InChI=1/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
(3)InChIKey: RJVAFLZWVUIBOU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
(5)Std. InChIKey: RJVAFLZWVUIBOU-UHFFFAOYSA-N