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| CAS No.: | 89-00-9 |
|---|---|
| Name: | Quinolinic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5NO4 |
| Molecular Weight: | 167.121 |
| Synonyms: | pyridine-2,3-carboxylate;2,3-pyridinedicarboxylic acid;Quinolinate;2,3-pyridinedicarboxylate;2, 3-Pyridinedicarboxylic acid;2,3-Pyridinedicarboxylic acid (8CI,9CI);Kinubon;Strontium quinolinolate;pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid;2,3-pyridine dicarboxylic acid;2,3-pyridinedicarboxylic aicd;N4-Acetyl Cytosine;Pyridine-2,3-Dicarboxylicacid; |
| EINECS: | 201-874-8 |
| Density: | 1.551 g/cm3 |
| Melting Point: | 188-190 °C (dec.)(lit.) |
| Boiling Point: | 425 °C at 760 mmHg |
| Flash Point: | 210.9 °C |
| Solubility: | 0.55 g/100 mL in water |
| Appearance: | Colorless columnar crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 87.49000 |
| LogP: | 0.47800 |
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| Conditions | Yield |
|---|---|
| With sodium chlorate; copper(ll) sulfate pentahydrate; manganase(II)-5,10,15,20-tetra(4-carboxyphenyl)porphine; sulfuric acid In water at 100℃; for 6h; | 94% |
| With manganese(II); iron(II); ozone In sulfuric acid at 69.9℃; | 84% |
| With Iron(III) nitrate nonahydrate; tetrabutylammomium bromide; nitric acid In water at 80℃; for 4h; Reagent/catalyst; Temperature; | 78% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-Picolinic acid With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -50 - 0℃; for 0.5h; Metallation; Stage #2: carbon dioxide In tetrahydrofuran; hexane Substitution; | 85% |
- 18970-62-2
copper pyridine-2,3-dicarboxylate
- 89-00-9
Pyridine-2,3-dicarboxylic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 90℃; for 2h; | 71% |
- 89-00-9
Pyridine-2,3-dicarboxylic acid
| Conditions | Yield |
|---|---|
| With pyridine; sulfuric acid In ethanol; water; ethyl acetate; toluene | 61% |
- 148-24-3
8-quinolinol
A
- 89-00-9
Pyridine-2,3-dicarboxylic acid
B
- 16830-25-4
2-carboxy-3-pyridineglyoxylic acid
| Conditions | Yield |
|---|---|
| With nitric acid a) RT, overnight, b) reflux, 1 h; | A 52.3% B 23.8% |
| With nitric acid |
- 91-63-4
2-methylquinoline
A
- 59-67-6
nicotinic acid
B
- 98-98-6
2-Picolinic acid
C
- 93-10-7
quinoline-2-carboxylic acid
D
- 89-00-9
Pyridine-2,3-dicarboxylic acid
E
- 17999-86-9
1,2-Bis(quinolin-2-yl)ethane
F
- 65-85-0
benzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; oxygen In water at 200℃; under 58840.6 Torr; for 1h; Product distribution; var. time, var. temperatures; | A 8.1% B 41.3% C 41.7% D 2.2% E n/a F 0.7% |
| Conditions | Yield |
|---|---|
| With potassium permanganate |
| Conditions | Yield |
|---|---|
| With potassium permanganate | |
| With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 35 deg C, 24 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With potassium permanganate |
| Conditions | Yield |
|---|---|
| With nitric acid | |
| With potassium permanganate | |
| With hydrogenchloride; nitric acid at 70℃; | |
| With ozone; acetic acid anschliessend Erhitzen mit wss. H2O2; | |
| With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 35 deg C, 25 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Quinolinic acid, with the CAS registry number 89-00-9,is also known 2,3-Pyridinedicarboxylic acid; Pyridine-2,3-dicarboxylic acid. It belongs to the product categories of Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals.Its EINECS number is 201-874-8. This chemical's molecular formula is C7H5NO4 and molecular weight is 167.12. What's more,Its systematic name is 2,3-Pyridinedicarboxylic acid.It is White powder or Light yellow powder.It is a metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.
Physical properties about Quinolinic acid are:
(1)ACD/LogP: -0.441; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.84; (4)ACD/LogD (pH 7.4): -4.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 38.204 cm3; (14)Molar Volume: 107.716 cm3; (15)Surface Tension: 83.5650024414063 dyne/cm; (16)Density: 1.551 g/cm3; (17)Flash Point: 210.854 °C; (18)Enthalpy of Vaporization: 71.645 kJ/mol; (19)Boiling Point: 425.036 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(c(nc1)C(=O)O)C(=O)O;
(2)Std. InChI:InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12);
(3)Std. InChIKey:GJAWHXHKYYXBSV-UHFFFAOYSA-N.
Safety Information of Quinolinic acid:
The Quinolinic acid is danger of cumulative effects .It is irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing and gloves and avoid contact with skin and eyes .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.