Molecular Formula: C7H7NO2
Molecular Weight: 137.14 g/mol
Canonical SMILES: O=C(O)c1nccc(c1)C
InChI: InChI=1/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
Mol File: 4021-08-3.mol
Product Categories: pharmacetical; Pyridine series; Carboxylic Acids; Pyridines;Heterocyclic Compounds; Carboxylic Acids; C7 and C8; Heterocyclic Building Blocks
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 39.19
Index of Refraction: 1.561
Molar Refractivity: 36.09 cm3
Molar Volume: 111.4 cm3
Polarizability: 14.31×10-24cm3
Surface Tension: 53.3 dyne/cm
Density: 1.23 g/cm3
Flash Point: 139.7 °C
Enthalpy of Vaporization: 57.86 kJ/mol
Boiling Point: 307.4 °C at 760 mmHg
Melting Point: 137-141 °C
Vapour Pressure of 4-Methylpyridine-2-carboxylic acid (CAS NO.4021-08-3): 0.000315 mmHg at 25 °C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note of 4-Methylpyridine-2-carboxylic acid (CAS NO.4021-08-3): Irritant
4-Methylpyridine-2-carboxylic acid (CAS NO.4021-08-3), its Synonyms are 4-Methyl-2-pyridinecarboxylic acid ; 4-Methylpicolinic acid ; 4-Methyl-pyridine-2-carboxylic acid ; 4-Methylpyridine-2-carboxylic acid, 97% . Its preparation product is Argatroban .
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