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| CAS No.: | 15733-83-2 |
|---|---|
| Name: | 4-METHOXY-2-QUINOLINECARBOXYLIC ACID |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C11H9NO3 |
| Molecular Weight: | 203.197 |
| Synonyms: | 4-Methoxy-2-quinolinecarboxylic acid;2-Carboxy-4-methoxyquinoline;Quinaldicacid, 4-methoxy- (8CI); |
| Density: | 1.325 g/cm3 |
| Melting Point: | 197 °C (dec.)(lit.) |
| Boiling Point: | 349.5 °C at 760 mmHg |
| Flash Point: | 165.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 59.42000 |
| LogP: | 1.94160 |
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Specification
The 2-Quinolinecarboxylicacid, 4-methoxy-, with the CAS registry number 15733-83-2, is also known as 4-Methoxy-2-quinolinecarboxylic acid. It belongs to the product categories of Indoline & Oxindole; Building Blocks; Heterocyclic Building Blocks; Quinolines. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.1941. Its systematic name is called 4-methoxyquinoline-2-carboxylic acid. You should keep container tightly closed and in a well-ventilated place.
Physical properties of 2-Quinolinecarboxylicacid, 4-methoxy-: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): -0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.48; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 55.79 cm3; (13)Molar Volume: 153.3 cm3; (14)Surface Tension: 58.5 dyne/cm; (15)Density: 1.325 g/cm3; (16)Flash Point: 165.1 °C; (17)Enthalpy of Vaporization: 62.68 kJ/mol; (18)Boiling Point: 349.5 °C at 760 mmHg; (19)Vapour Pressure: 1.76E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methoxy-quinoline-2-carboxylic acid methyl ester. This reaction will need reagent aq. LiOH and solvent tetrahydrofuran. The yield is about 70%.
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Uses of 2-Quinolinecarboxylicacid, 4-methoxy-: it can be used to produce 3-iodo-4-methoxy-quinoline-2-carboxylic acid at temperature of -25 °C. This reaction will need reagent BuLi, 2,2,6,6-tetramethylpiperidine, iodine, H(+) and solvent tetrahydrofuran with reaction time of 30 min. The yield is about 45%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It 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 and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc2ccccc2c(OC)c1
(2)InChI: InChI=1/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14)
(3)InChIKey: AVBKMSSLAIKOGM-UHFFFAOYAQ