-
Name
DIMETHYL PYRIMIDINE-4,6-DICARBOXYLATE
- EINECS 929-172-3
- CAS No. 6345-43-3
- Article Data7
- CAS DataBase
- Density 1.293 g/cm3
- Solubility
- Melting Point 78-79 °C
- Formula C8H8N2O4
- Boiling Point 305.7 °C at 760 mmHg
- Molecular Weight 196.163
- Flash Point 138.7 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 4,6-Pyrimidinedicarboxylicacid, dimethyl ester (6CI,7CI,9CI);Dimethyl 4,6-pyrimidinedicarboxylate;NSC44349;
- PSA 78.38000
- LogP 0.04980
4,6-Pyrimidinedicarboxylicacid, 4,6-dimethyl ester Specification
The 4,6-Pyrimidinedicarboxylicacid, 4,6-dimethyl ester, with the CAS registry number 6345-43-3, is also known as Methyl 6-(methoxycarbonyl)pyrimidine-4-carboxylate. This chemical's molecular formula is C8H8N2O4 and molecular weight is 196.1601. Its systematic name is called dimethyl pyrimidine-4,6-dicarboxylate.
Physical properties of 4,6-Pyrimidinedicarboxylicacid, 4,6-dimethyl ester: (1)ACD/LogP: 0.07; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.518; (5)Molar Refractivity: 45.98 cm3; (6)Molar Volume: 151.6 cm3; (7)Surface Tension: 50.9 dyne/cm; (8)Density: 1.293 g/cm3; (9)Flash Point: 138.7 °C; (10)Enthalpy of Vaporization: 54.61 kJ/mol; (11)Boiling Point: 305.7 °C at 760 mmHg; (12)Vapour Pressure: 0.000811 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncnc(C(=O)OC)c1
(2)InChI: InChI=1/C8H8N2O4/c1-13-7(11)5-3-6(8(12)14-2)10-4-9-5/h3-4H,1-2H3
(3)InChIKey: AJTJKDWVSIIOIR-UHFFFAOYAH
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