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| Name |
4-Pyrimidinecarboxylicacid, 6-chloro-, methyl ester |
EINECS | N/A |
| CAS No. | 6627-22-1 | Density | 1.372 g/cm3 |
| PSA | 52.08000 | LogP | 0.91660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H5ClN2O2 | Boiling Point | 271.3 °C at 760 mmHg |
| Molecular Weight | 172.571 | Flash Point | 117.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl6-chloro-4-pyrimidinecarboxylate;NSC 58346;Methyl 6-chloropyrimidine-4-carboxylate; |
4-Pyrimidinecarboxylicacid, 6-chloro-, methyl ester Specification
The 4-Pyrimidinecarboxylicacid, 6-chloro-, methyl ester, with the CAS registry number 6627-22-1, is also known as NSC58346. This chemical's molecular formula is C6H5ClN2O2 and molecular weight is 172.5691. Its IUPAC name is called methyl 6-chloropyrimidine-4-carboxylate.
Physical properties of 4-Pyrimidinecarboxylicacid, 6-chloro-, methyl ester: (1)ACD/LogP: 0.59; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.534; (5)Molar Refractivity: 39.1 cm3; (6)Molar Volume: 125.7 cm3; (7)Surface Tension: 51.1 dyne/cm; (8)Density: 1.372 g/cm3; (9)Flash Point: 117.9 °C; (10)Enthalpy of Vaporization: 50.95 kJ/mol; (11)Boiling Point: 271.3 °C at 760 mmHg; (12)Vapour Pressure: 0.00652 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=NC=N1)Cl
(2)InChI: InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-5(7)9-3-8-4/h2-3H,1H3
(3)InChIKey: IAEUEOUJKNGPMO-UHFFFAOYSA-N
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