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5398-44-7

Basic Information
CAS No.: 5398-44-7
Name: 2,6-Dichloroisonicotinic acid
Article Data: 43
Molecular Structure:
Molecular Structure of 5398-44-7 (2,6-Dichloroisonicotinic acid)
Formula: C6H3Cl2NO2
Molecular Weight: 192.001
Synonyms: Isonicotinicacid, 2,6-dichloro- (6CI,7CI);2,6-Dichloro-4-pyridinecarboxylic acid;CGA 41396;NSC 4466;
EINECS: -0
Density: 1.612 g/cm3
Melting Point: 210-211 °C
Boiling Point: 437.8 °C at 760 mmHg
Flash Point: 218.6 °C
Solubility: insoluble in water
Appearance: off-white to beige or light brownish powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 50.19000
LogP: 2.08660
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    Product Name: 2,6-Dichloroisonicotinic acid CAS: 5398-44-7 MF: C6H3Cl2NO2 MW: 192 EINECS: 611-076-5 Mol File: 5398-44-7.mol 2,6-Dichloroisonicotinic acid Structure 2,6-Dichloroisonicotinic acid Chemical Properties Melting point

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Chemistry

 

Molecular Structure of 4-Pyridinecarboxylic acid, 2,6-dichloro- (CAS NO.5398-44-7):

IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid 
Empirical Formula: C6H3Cl2NO2
Molecular Weight: 191.9995
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 50.19Å2
Index of Refraction: 1.606
Molar Refractivity: 41.064 cm3
Molar Volume: 119.088 cm3
Surface Tension: 62.834 dyne/cm
Density: 1.612 g/cm3
Flash Point: 218.593 °C
Enthalpy of Vaporization: 73.202 kJ/mol
Boiling Point: 437.832 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 209-212 °C(lit.)
Water Solubility: insoluble
InChI
InChI=1/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
Smiles
n1c(cc(cc1Cl)C(=O)O)Cl
Product Categories: pharmacetical; Carboxylic Acids; Pyridines; Pyridine; Chloropyridines; Halopyridines; Carboxylic Acids

Safety Profile

 Hazard Codes: IrritantXi
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:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: Irritant

Specification

  4-Pyridinecarboxylic acid, 2,6-dichloro- , with CAS number of 5398-44-7, can be called 2,6-dichloroisonicotinic acid ; 2,6-Dichlorisonicotinsaure ; Acide 2,6-dichloroisonicotinique ; Acide 2,6-dichloropyridine-4-carboxylique ; 2,6-Dichloro-4-pyridinecarboxylic acid ; 2,6-Dichloropyridine-4-Carboxylic Acid . It is an off-white to beige or light brownish powder.