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38496-18-3

Basic Information
CAS No.: 38496-18-3
Name: 2,6-Dichloronicotinic acid
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 38496-18-3 (2,6-Dichloronicotinic acid)
Formula: C6H3Cl2NO2
Molecular Weight: 192.001
Synonyms: 2,6-dichloropyridine-3-carboxylic acid;2,6-Dichloro-3-pyridinecarboxylic acid;
EINECS: -0
Density: 1.612 g/cm3
Melting Point: 140-143 °C(lit.)
Boiling Point: 351.2 °C at 760 mmHg
Flash Point: 166.2 °C
Solubility: N/A
Appearance: off-white to yellow solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-22
Safety: 26-36
Transport Information: N/A
PSA: 50.19000
LogP: 2.08660
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Chemistry

Molecule structure of 2,6-Dichloronicotinic acid (CAS NO.38496-18-3):

IUPAC Name: 2,6-Dichloropyridine-3-carboxylic acid 
Molecular Weight: 191.99952 g/mol
Molecular Formula: C6H3Cl2NO2 
Density: 1.612 g/cm3 
Melting Point: 140-143 °C(lit.)
Boiling Point: 351.2 °C at 760 mmHg 
Flash Point: 166.2 °C
Index of Refraction: 1.605
Molar Refractivity: 41.06 cm3
Molar Volume: 119 cm3
Surface Tension: 62.8 dyne/cm 
Enthalpy of Vaporization: 62.88 kJ/mol
Vapour Pressure: 1.56E-05 mmHg at 25 °C 
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 190.954084
MonoIsotopic Mass: 190.954084
Topological Polar Surface Area: 50.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=NC(=C1C(=O)O)Cl)Cl
InChI: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
InChIKey: AJPKQSSFYHPYMH-UHFFFAOYSA-N
Product Categories: pyridine derivative;Acids and Derivatives;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;pharmacetical;Carboxylic Acids;Pyridines;Pyridine;Organic acids;Pyridines derivates;Heterocyclic Compounds;Chloropyridines;Halopyridines;Inhibitors;Nicotine Derivatives;Carboxylic Acids

Uses

 2,6-Dichloronicotinic acid (CAS NO.38496-18-3) is used for preparation of pyridine derivatives as inhibitors of human 11 hydroxysteroid dehydrogenase type 1 enzyme.

Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 36/37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 2,6-Dichloronicotinic acid (CAS NO.38496-18-3) is also named as 2,6-Dichloropyridine-3-carboxylic acid ; 3-pyridinecarboxylic acid, 2,6-dichloro- ; Acide 2,6-dichloronicotinique ; 2,6-Dichloro-3-pyridinecarboxylic acid ; 2,6-Dichloro-nicotinic acid . 2,6-Dichloronicotinic acid (CAS NO.38496-18-3) is off-white to yellow solid.