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3222-49-9

Basic Information
CAS No.: 3222-49-9
Name: 5-Methylnicotinic acid
Molecular Structure:
Molecular Structure of 3222-49-9 (5-Methylnicotinic acid)
Formula: C7H7NO2
Molecular Weight: 137.14
Synonyms: 5-Methylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-methyl-;
EINECS: -0
Density: 1.23 g/cm3
Melting Point: 210-212 °C
Boiling Point: 303.9 °C at 760 mmHg
Flash Point: 137.6 °C
Solubility:
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 50.19000
LogP: 1.08820
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  • 5-Methylnicotinic acid

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    3222-49-9

    5-Methylnicotinic acid

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  • 5-Methylnicotinic acid

  • Casno:

    3222-49-9

    5-Methylnicotinic acid

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Specification

The CAS register number of 5-Methylnicotinic acid is 3222-49-9. It also can be called as 3-Pyridinecarboxylic acid, 5-methyl- and the systematic name about this chemical is 5-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H7NO2 and the molecular weight is 137.14. It belongs to the following product categories which include Nitrogen cyclic compounds; Pyridine Series; Pharmacetical; Building Blocks; Pyridine; Pyridines and so on.

Physical properties about 5-Methylnicotinic acid are: (1)ACD/LogP: 0.61; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 39.19Å2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 36.09 cm3; (12)Molar Volume: 111.4 cm3; (13)Polarizability: 14.31x10-24cm3; (14)Surface Tension: 53.3 dyne/cm; (15)Flash Point: 137.6 °C; (16)Enthalpy of Vaporization: 57.47 kJ/mol; (17)Boiling Point: 303.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000398 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethyl-pyridine. This reaction will need reagent KMnO4 and solvent acetone, H2O. The reaction time is 2 hour(s) with reaction temperature of 70 °C.

Uses of 5-Methylnicotinic acid: it can be used to produce 5-methyl-nicotinic acid methyl ester with diazomethane. This reaction will need solvent diethyl ether, methanol. The yield is about 63%.

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 protective clothing. 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)c1cncc(c1)C
(2)InChI: InChI=1/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(3)InChIKey: DJDHHXDFKSLEQY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N