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| CAS No.: | 2942-59-8 |
|---|---|
| Name: | 2-Chloronicotinic acid |
| Article Data: | 50 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4ClNO2 |
| Molecular Weight: | 157.556 |
| Synonyms: | 3-Pyridinecarboxylic acid, 2-chloro-;Nicotinic acid, 2-chloro-;2-chloropyridine-3-carboxylic acid;2-chloropyridine-3-carboxylate;2-Chloro-3-pyridinecarboxylic acid;2-chloro-3-pyridine carboxylic acid;2,3-Pyridinedicarboxylic anhydride;2-Chloro-nicotinic acid; |
| EINECS: | 220-937-0 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 176-178 °C (dec.)(lit.) |
| Boiling Point: | 316.8 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| Appearance: | white to cream powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-37/39-26-36 |
| PSA: | 50.19000 |
| LogP: | 1.43320 |
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2 chloro-3-methylpyridine
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With ozone; acetic acid at 20℃; for 5h; Reagent/catalyst; Temperature; | 98% |
| With N-hydroxyphthalimide; oxygen; cobalt(III) acetylacetonate In acetonitrile at 80℃; under 7500.75 Torr; for 18h; Reagent/catalyst; Temperature; Autoclave; | 94.1% |
| With permanganate(VII) ion |
- 96440-05-0
2-chloro-3-ethylpyridine
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With sodium acetate; ozone; acetic acid at 20℃; for 5h; Temperature; Reagent/catalyst; | 98% |
| With potassium permanganate; water |
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With iron(II) acetate; ozone; acetic acid at 100℃; Reagent/catalyst; Temperature; | 98% |
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With 10% Ru/C; oxygen; sodium carbonate In tetrahydrofuran at 140℃; under 22502.3 - 30003 Torr; for 4h; Catalytic behavior; Temperature; Solvent; Pressure; Autoclave; Green chemistry; | 95.4% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 80℃; for 2h; Temperature; | 95.2% |
| With sodium hydroxide In methanol; water at 75℃; |
| Conditions | Yield |
|---|---|
| With sodium nitrite In dimethyl sulfoxide at 20℃; for 8h; Temperature; Solvent; | 95.1% |
- 49609-84-9
2-Chloronicotinoyl chloride
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With water at 0 - 5℃; for 0.5h; pH=1.5; Alkaline conditions; Green chemistry; | 92% |
| In water |
| Conditions | Yield |
|---|---|
| With potassium permanganate; chlorine In water at 85 - 90℃; Reagent/catalyst; Solvent; | 91% |
- 72648-12-5
2-chloro-3-(trichloromethyl)-pyridine
- 2942-59-8
2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; lithium acetate; water; silver; fluorosulphonic acid; acetic acid In methanol at 55 - 60℃; Electrolysis; | 91% |
| With water |
| Conditions | Yield |
|---|---|
| Stage #1: nicotinic acid With dihydrogen peroxide; acetic acid In toluene Reflux; Stage #2: With phosphorus pentachloride; trichlorophosphate In toluene Reflux; | 90% |
| Multi-step reaction with 3 steps 1: molybdic acid; dihydrogen peroxide / water / 3 h / 92 - 95 °C / Green chemistry 2: trichlorophosphate; triethylamine / 6 h / 10 - 100 °C / Green chemistry 3: water / 0.5 h / 0 - 5 °C / pH 1.5 / Alkaline conditions; Green chemistry View Scheme |
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Chemistry
Molecular structure of 2-Chloronicotinic acid (CAS NO.2942-59-8) is:
Product Name: 2-Chloronicotinic acid
CAS Registry Number: 2942-59-8
IUPAC Name: 2-chloropyridine-3-carboxylic Acid
Molecular Weight: 157.55446 [g/mol]
Molecular Formula: C6H4ClNO2
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 220-937-0
Melting Point: 176-178 °C (dec.)(lit.)
Index of Refraction: 1.59
Molar Refractivity: 36.16 cm3
Molar Volume: 107.1 cm3
Surface Tension: 61 dyne/cm
Density: 1.47 g/cm3
Flash Point: 145.4 °C
Enthalpy of Vaporization: 58.93 kJ/mol
Boiling Point: 316.8 °C at 760 mmHg
Vapour Pressure: 0.000168 mmHg at 25 °C
Product Categories: blocks;Carboxes;Pyridines;Pyridine;Acids and Derivatives;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;Carboxylic Acids;Organic acids;Diflufenican;Chloropyridines;Halopyridines;Carboxylic Acids
Canonical SMILES: C1=CC(=C(N=C1)Cl)C(=O)O
InChI: InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey: IBRSSZOHCGUTHI-UHFFFAOYSA-N
Uses
2-Chloronicotinic acid (CAS NO.2942-59-8) can be used as an intermediate for agrochemicals, feed additives, pharmaceuticals and animal food enrichments.
Safety Profile
Safty information about 2-Chloronicotinic acid (CAS NO.2942-59-8) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
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
TSCA: T
HazardClass: IRRITANT
HS Code: 29333999
Specification
2-Chloronicotinic acid , its cas register number is 2942-59-8. It also can be called 2-Chloro-3-pyridinecarboxylic acid ; Nicotinic acid, 2-chloro- ; 3-Pyridinecarboxylic acid, 2-chloro- .It is a white to cream powder.