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| CAS No.: | 53951-84-1 |
|---|---|
| Name: | methyl quinoline-3-carboxylate |
| Molecular Structure: | |
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| Formula: | C12H11NO2 |
| Molecular Weight: | 187.198 |
| Synonyms: | Methyl3-quinolinecarboxylate;NSC 86584; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 63-67 °C |
| Boiling Point: | 294.5 °C at 760 mmHg |
| Flash Point: | 131.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.19000 |
| LogP: | 2.02140 |
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Specification
The 3-Quinolinecarboxylicacid, methyl ester, with the CAS registry number 53951-84-1, is also known as Quinoline-3-carboxylic acid ethyl ester. This chemical's molecular formula is C12H11NO2 and molecular weight is 201.22. What's more, both its IUPAC name and systematic name are the same which is called Methyl quinoline-3-carboxylate. It should be kept in a cold and dry place.
Physical properties about 3-Quinolinecarboxylicacid, methyl ester are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 58.59 cm3; (9)Molar Volume: 171.1 cm3; (10)Surface Tension: 47.7 dyne/cm; (11)Density: 1.175 g/cm3; (12)Flash Point: 140.8 °C; (13)Enthalpy of Vaporization: 55 kJ/mol; (14)Boiling Point: 309.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000647 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should 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)c1cc2ccccc2nc1
(2) InChI: InChI=1/C12H11NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3
(3) InChIKey: OTTDACPMYLDVTL-UHFFFAOYAK