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Cas Database |
| Name |
3-Hydroxy-2-methyl-4-quinolinecarboxylic acid |
EINECS | 204-198-1 |
| CAS No. | 117-57-7 | Density | 1.41 g/cm3 |
| PSA | 70.42000 | LogP | 1.94700 |
| Solubility | 0.04 g/L (20 °C) in water | Melting Point |
235 °C (dec.)(lit.) |
| Formula | C11H9NO3 | Boiling Point | 370.2 °C at 760 mmHg |
| Molecular Weight | 203.197 | Flash Point | 177.7 °C |
| Transport Information | N/A | Appearance | yellow to green powder. |
| Safety | 26-37/39-36/37/39-22 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Cinchoninicacid, 3-hydroxy-2-methyl- (8CI);2-Methyl-3-hydroxy-4-carboxyquinoline;2-Methyl-3-hydroxyquinoline-4-carboxylic acid;3-Hydroxy-2-methylcinchoninicacid;3-Hydroxy-4-carboxyquinaldine;3-Hydroxy-4-quinaldinecarboxylic acid;4-Carboxy-3-hydroxy-2-methylquinoline; |
Article Data | 13 |
3-Hydroxy-2-methyl-4-quinolinecarboxylic acid Chemical Properties
Molecular Structure of 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid (CAS NO.117-57-7):
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IUPAC Name: 3-hydroxy-2-methylquinoline-4-carboxylic acid
Empirical Formula: C11H9NO3
Molecular Weight: 203.1941
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 48.42 Å2
Index of Refraction: 1.702
Molar Refractivity: 55.82 cm3
Molar Volume: 144 cm3
Surface Tension: 72.3 dyne/cm
Density: 1.41 g/cm3
Flash Point: 177.7 °C
Enthalpy of Vaporization: 65.1 kJ/mol
Boiling Point: 370.2 °C at 760 mmHg
Vapour Pressure: 3.91E-06 mmHg at 25°C
EINECS: 204-198-1
Melting point: 235 °C (dec.)(lit.)
Water Solubility: 0.04 g/L (20 ºC)
Product Categories: Intermediates of Dyes and Pigments; Quinoline&Isoquinoline; Building Blocks; Heterocyclic Building Blocks; Quinolines
InChI
InChI=1/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)
Smiles
O=C(O)c1c2c(nc(C)c1O)cccc2
3-Hydroxy-2-methyl-4-quinolinecarboxylic acid Safety Profile
Hazard Codes: 
Xi
Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-37/39-36/37/39-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S22:Do not breathe dust.
WGK Germany: 1
3-Hydroxy-2-methyl-4-quinolinecarboxylic acid Specification
3-Hydroxy-2-methyl-4-quinolinecarboxylic acid , with CAS number of 117-57-7, can be called 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl- ; 2-Methyl-3-hydroxy-quinoline-4-carboxylic acid ; 3-Hydroxy-4-carboxyquinaldine . It is a yellow to greenish powder.
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