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CAS No.: | 499-80-9 |
---|---|
Name: | 2,4-Pyridinedicarboxylic acid |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C7H5NO4 |
Molecular Weight: | 167.121 |
Synonyms: | 2,4-Dicarboxylpyridine;2,4-Lutidinic acid;Lutidinic acid;NSC 403248; |
EINECS: | 207-892-2 |
Density: | 1.551 g/cm3 |
Melting Point: | 243-246 °C |
Boiling Point: | 574.8 °C at 760 mmHg |
Flash Point: | 301.4 °C |
Solubility: | Soluble in water at 20°C 4.5 g/L. |
Appearance: | white to off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-26 |
PSA: | 87.49000 |
LogP: | 0.47800 |
Conditions | Yield |
---|---|
With 18-crown-6 ether; potassium tert-butylate; oxygen In 1,2-dimethoxyethane at 60℃; under 3800 Torr; for 48h; | 52% |
With potassium permanganate | |
With permanganate(VII) ion |
Conditions | Yield |
---|---|
With permanganate(VII) ion |
Conditions | Yield |
---|---|
With permanganate(VII) ion |
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion |
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
With alkaline permanganate solution |
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion |
2,4-lutidine
sulfuric acid
A
2-methylisonicotinic acid
B
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
at 300℃; |
2-carbamoyl-4-cyanopyridine
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water |
Conditions | Yield |
---|---|
With thiostrepton; ammonium chloride at 30℃; for 168h; | |
With disodium hydrogenphosphate; potassium dihydrogenphosphate; chloramphenicol; magnesium sulfate; ammonium chloride; thiostrepton A; sodium chloride; calcium chloride In water at 30℃; for 168h; Reagent/catalyst; Enzymatic reaction; |
pyridine-2,4-dicarboxylic acid
Conditions | Yield |
---|---|
With thiostrepton; ammonium chloride at 30℃; for 168h; Time; |
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The 2,4-Pyridinedicarboxylic acid, with the CAS registry number 499-80-9, is also known as Lutidinic acid. Its EINECS registry number is 207-892-2. This chemical's molecular formula is C7H5NO4 and molecular weight is 167.12. What's more, both its IUPAC name and systematic name are the same which is called Pyridine-2,4-dicarboxylic acid. It is used as organic synthetic reagent.
Physical properties about 2,4-Pyridinedicarboxylic acid are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.84; (4)ACD/LogD (pH 7.4): -4.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 38.2 cm3; (15)Molar Volume: 107.7 cm3; (16)Surface Tension: 83.5 dyne/cm; (17)Density: 1.551 g/cm3; (18)Flash Point: 301.4 °C; (19)Enthalpy of Vaporization: 90.58 kJ/mol; (20)Boiling Point: 574.8 °C at 760 mmHg; (21)Vapour Pressure: 4.71E-14 mmHg at 25 °C.
Preparation of 2,4-Pyridinedicarboxylic acid: this chemical can be prepared by 2,4-Dimethyl-pyridine. This reaction needs reagents oxygen, Cu(NO3)2, H2O at temperature of 225-230 °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 avoid contacting with skin and eyes. 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(O)c1nccc(C(=O)O)c1
(2) InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
(3) InChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-N