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98-98-6

Basic Information
CAS No.: 98-98-6
Name: Picolinic acid
Molecular Structure:
Molecular Structure of 98-98-6 (Picolinic acid)
Formula: C6H5NO2
Molecular Weight: 123.11
Synonyms: Pyridine-2-carboxylic acid;pyridine-2-carboxylic acid hydrochloride;2-pyridinecarboxylate;2-Carboxypyridine;pyridine-2-carboxylate;alpha-Picolinic acid hydrochloride;2-Pyridinecarboxylic acid, hydrochloride;.alpha.-Pyridinecarboxylic acid;o-Pyridinecarboxylic acid;PLA;2-Picolinic acid;2-pyridine carboxylic acid;Sodium picolinate;alpha-Pyridinecarboxylic acid;alpha-Picolinic acid;2-pyridinecarboxylic acid;Sodium pyridine-2-carboxylate;2-Pyridinecarboxylic acid, sodium salt;Picolinate;2-Pyridinecarboxylic Aicd;Alpha Picolinic Acid;Picolinic Acid (P521);
EINECS: 202-719-7
Density: 1.293 g/cm3
Melting Point: 139-142 °C(lit.)
Boiling Point: 292.467 °C at 760 mmHg
Flash Point: 130.68 °C
Solubility: water: 50 mg/mL, clear
Appearance: Off-white to tan powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36-36/37/38
Safety: 26-36-33-24/25
Transport Information:
PSA: 50.19000
LogP: 0.77980
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Chemistry


IUPAC Name: Pyridine-2-carboxylic acid
Canonical SMILES: C1=CC=NC(=C1)C(=O)O
InChI: InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N
Molecular Weight: 123.1094 [g/mol]
Molecular Formula: C6H5NO2
XLogP3: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 3 
storage temp.: Store at RT.
solubility: H2O: 50 mg/mL, clear
Water Solubility: 887 g/L (20 °C) 
Appearance: Off-white to tan powder
Melting Point: 139-142 °C
Index of Refraction: 1.57
Molar Refractivity: 31.27 cm3
Molar Volume: 95.1 cm3
Surface Tension: 58.7 dyne/cm
Density: 1.293 g/cm3
Flash Point: 130.7 °C
Enthalpy of Vaporization: 56.18 kJ/mol
Boiling Point: 292.5 °C at 760 mmHg
Vapour Pressure: 0.000836 mmHg at 25 °C 
EINECS: 202-719-7
Product Categories: Nitrogen cyclic compounds; Pyridine; Organic acids; API intermediates; Pyridine series
Classification Code of Picolinic acid (CAS NO.98-98-6): Chelating Agents; Iron chelating agents

Uses

 Picolinic acid (CAS NO.98-98-6) acts as a chelating agent of elements such as chromium, zinc, manganese, copper, iron, and molybdenum in the human body. It is involved in phenylalanine, tryptophan, and alkaloid production, and for the quantitative detection of calcium.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 178mg/kg (178mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 360mg/kg (360mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 17, Pg. 2377, 1969.
mouse LD50 intravenous 487mg/kg (487mg/kg)   Therapie. Vol. 23, Pg. 1343, 1968.
quail LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 22-36-36/37/38 
R22:Harmful if swallowed. 
R36:Irritating to eyes. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-33-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S33:Take precautionary measures against static discharges. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: TJ7344000

Specification

 Picolinic acid (CAS NO.98-98-6), its Synonyms are 2-Carboxypyridine ; 2-Pyridinecarboxylic acid ; Acide picolique ; Pyridine-carboxylique-2 ; alpha-Pyridinecarboxylic acid ; o-Pyridinecarboxylic acid .