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| CAS No.: | 40929-50-8 |
|---|---|
| Name: | ETHYL 5-PYRIMIDINECARBOXYLATE 98 |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | ETHYL 5-PYRIMIDINECARBOXYLATE 98 |
| Density: | 1.167 g/cm3 |
| Melting Point: | 16 °C |
| Boiling Point: | 240.3 °C at 760 mmHg |
| Flash Point: | 99.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 52.08000 |
| LogP: | 0.65330 |
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Specification
The Ethyl 5-pyrimidinecarboxylate is an organic compound with the formula C7H8N2O2. The systematic name of this chemical is ethyl pyrimidine-5-carboxylate. With the CAS registry number 40929-50-8, it is also named as 5-Pyrimidinecarboxylic acid, ethyl ester. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrimidines.
Physical properties about Ethyl 5-pyrimidinecarboxylate are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 46.89; (7)ACD/KOC (pH 7.4): 46.9; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.08 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 38.84 cm3; (13)Molar Volume: 130.2 cm3; (14)Polarizability: 15.39×10-24cm3; (15)Surface Tension: 46.4 dyne/cm; (16)Density: 1.167 g/cm3; (17)Flash Point: 99.1 °C; (18)Enthalpy of Vaporization: 47.72 kJ/mol; (19)Boiling Point: 240.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0383 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. When you are using it, wear suitable protective clothing. In case of 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=C(OCC)c1cncnc1
(2)InChI: InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
(3)InChIKey: YCWDQAKDVQNVAR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
(5)Std. InChIKey: YCWDQAKDVQNVAR-UHFFFAOYSA-N