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CAS No.: | 38496-18-3 |
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Name: | 2,6-Dichloronicotinic acid |
Article Data: | 2 |
Molecular Structure: | |
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 |
Appearance: | off-white to yellow solid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 26-36 |
PSA: | 50.19000 |
LogP: | 2.08660 |
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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
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.
Hazard Codes: Xn, Xi
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
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.