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- 3222-49-95-Methylnicotinic acid
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Cas Database |
| Name |
6-Methylnicotinic acid |
EINECS | -0 |
| CAS No. | 3222-47-7 | Density | 1.23 g/cm3 |
| PSA | 50.19000 | LogP | 1.08820 |
| Solubility | Sparingly soluble in water. | Melting Point |
210-213 °C(lit.) |
| Formula | C7H7NO2 | Boiling Point | 296.2 °C at 760 mmHg |
| Molecular Weight | 137.138 | Flash Point | 132.9 °C |
| Transport Information | N/A | Appearance | White crystalline |
| Safety | 37/39-26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
6-methylpyridine-3-carboxylate;6-methylpyridine-3-carboxylic acid; |
Article Data | 31 |
6-Methylnicotinic acid Synthetic route
| Conditions | Yield |
|---|---|
| 100% |
| Conditions | Yield |
|---|---|
| With potassium permanganate In water at 80℃; for 0.05h; | 84.2% |
| With potassium hydroxide; potassium permanganate In water; acetone at 30℃; for 2h; Title compound not separated from byproducts; |
- 36357-38-7
1-(6-methyl-pyridin-3-yl)-ethanone
- 3222-47-7
6-methylnicotinic acid
| Conditions | Yield |
|---|---|
| With nitric acid for 5h; Heating; | 75.4% |
| With nitric acid |
| Conditions | Yield |
|---|---|
| With potassium permanganate In water at 90℃; for 6.2h; | A 14.5% B 70.8% |
| With potassium permanganate In water at 80℃; for 1.5h; Product distribution; other pyridines, var. temp.; | A 47.1% B 12.3% |
- 104-90-5
5-ethyl-2-methyl-pyridine
A
- 3222-47-7
6-methylnicotinic acid
B
- 770-08-1
5-ethylpyridine-2-carboxylic acid
C
- 100-26-5
Pyridine-2,5-dicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate In water at 90℃; for 0.433333h; | A 57.5% B 3.5% C 18.4% |
| With potassium permanganate In water at 80℃; for 0.166667h; | A 42% B 5.4% C 1.6% |
- 589-93-5
2,5-dimethylpyridine
A
- 4434-13-3
2-carboxy-5-methylpyridine
B
- 3222-47-7
6-methylnicotinic acid
C
- 100-26-5
Pyridine-2,5-dicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate In water at 80℃; for 1.5h; | A 19.1% B 47.1% C 12.3% |
| Conditions | Yield |
|---|---|
| With selenium(IV) oxide; nitric acid | |
| With potassium permanganate at 60℃; | |
| With potassium permanganate; water | |
| With nitric acid; vanadia |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 21684-59-3
ethyl 6-methylnicotinate
- 3222-47-7
6-methylnicotinic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide | |
| With hydrogenchloride In water at 80℃; | |
| With lithium aluminium tetrahydride In tetrahydrofuran |
| Conditions | Yield |
|---|---|
| Erhitzen auf Siedetemperatur; |
6-Methylnicotinic acid Standards and Recommendations
6-Methylnicotinic acid Specification
The 6-Methylnicotinic acid is an organic compound with the formula C7H7NO2. The IUPAC name of this chemical is 6-methylpyridine-3-carboxylic acid. With the CAS registry number 3222-47-7, it is also named as 3-Pyridinecarboxylic acid, 6-methyl-. The product's categories are Acids and Derivatives; Heterocycles; Pharmacetical; Pyridine; Organic Acids. Besides, it is a white crystalline, which should be stored in a cool dry and well-ventilated area away from incompatible substances.
Physical properties about 6-Methylnicotinic acid are: (1)ACD/LogP: 0.61 ; (2)ACD/LogD (pH 5.5): -1.41; (3)ACD/LogD (pH 7.4): -2.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19 Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 36.09 cm3; (14)Molar Volume: 111.4 cm3; (15)Polarizability: 14.31×10-24cm3; (16)Surface Tension: 53.3 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 132.9 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 296.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000659 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(6-methyl-pyridin-3-yl)-ethanone. This reaction will need reagent nitric acid.
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Uses of 6-Methylnicotinic acid: it can be used to produce 2-(6-methyl-pyridin-3-yl)-1H-imidazo[4,5-b]pyridine at temperature of 210 °C. It will need reagent polyphosphoric acid with reaction time of 2 hours. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, 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)c1cnc(cc1)C
(2)InChI: InChI=1/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
(3)InChIKey: RZOKQIPOABEQAM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: RZOKQIPOABEQAM-UHFFFAOYSA-N
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