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| CAS No.: | 6313-54-8 |
|---|---|
| Name: | 2-Chloro-4-pyridinecarboxylic acid |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4ClNO2 |
| Molecular Weight: | 157.556 |
| Synonyms: | 2-chloropyridine-4-carboxylate;2-chloropyridine-4-carboxylic acid;2-Chloro Isonicotinic Acid;4-Pyridinecarboxylic acid, 2-chloro-;2-chloro-4-pyridinecarboxylic acid; |
| EINECS: | -0 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 246 °C (dec.)(lit.) |
| Boiling Point: | 417.7 °C at 760 mmHg |
| Flash Point: | 206.4 °C |
| Appearance: | white crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-36/37/39 |
| PSA: | 50.19000 |
| LogP: | 1.43320 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 33252-30-1
2-chloro-4-pyridinenitrile
- 6313-54-8
2-chloroisonicotinic acid,
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium hydrogen sulfate; water at 60 - 65℃; for 2.4h; Green chemistry; | 92% |
| With hydrogenchloride |
- 13602-12-5
Isonicotinic acid N-oxide
- 6313-54-8
2-chloroisonicotinic acid,
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 7h; Heating; | 73% |
- 14906-37-7
ethyl isonicotinate N-oxide
- 6313-54-8
2-chloroisonicotinic acid,
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 130 - 150℃; Erhitzen des Reaktionsprodukts mit wss. KOH; |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate Erwaermen des Reaktionsprodukts mit wss. CuSO4; |
- 6313-54-8
2-chloroisonicotinic acid,
| Conditions | Yield |
|---|---|
| With hydrazine hydrate nachfolgend Kochen des Reaktionsprodukts mit Kupfersulfat-Loesung und mit Alkalilauge; |
- 65287-34-5
2-chloropyridine-4-carbonyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at 80℃; for 3h; | 100% |
| With thionyl chloride; N,N-dimethyl-formamide at 20℃; for 2.5h; Product distribution / selectivity; Reflux; | 91% |
| With thionyl chloride for 28h; Reflux; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloroisonicotinic acid, With sodium hydride In N,N-dimethyl-formamide at 25℃; for 0.5h; Inert atmosphere; Stage #2: methyl iodide In N,N-dimethyl-formamide at 50℃; for 2h; | 100% |
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 4h; | 98% |
| With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; for 20h; | 87% |
- 6313-54-8
2-chloroisonicotinic acid,
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloroisonicotinic acid, With thionyl chloride; N,N-dimethyl-formamide In toluene for 2h; Heating / reflux; Stage #2: 1-(tert-butyloxycarbonyl)-6'-chloro-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine] With triethylamine In dichloromethane at 0 - 20℃; for 1h; Stage #3: With sodium carbonate In dichloromethane; water | 100% |
- 6313-54-8
2-chloroisonicotinic acid,
- 100704-10-7
(2-chloropyridin-4-yl)methanol
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloroisonicotinic acid, With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water at 0℃; for 0.166667h; Stage #3: With hydrogenchloride In tetrahydrofuran; water | 99% |
| Stage #1: 2-chloroisonicotinic acid, With dimethylsulfide borane complex In tetrahydrofuran at 0 - 50℃; for 61h; Stage #2: With water; ammonium chloride In tetrahydrofuran; ethyl acetate at 20℃; | 93% |
| Stage #1: 2-chloroisonicotinic acid, With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at -10 - 20℃; Stage #2: With water In tetrahydrofuran | 85.8% |
- 6313-54-8
2-chloroisonicotinic acid,
- 374790-93-9
2-furan-2-yl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
- 1086379-95-4
2-(furan-2-yl)isonicotinic acid
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; lithium hydroxide In 1,4-dioxane; water at 80℃; for 0.5h; Suzuki-Miyaura cross-coupling; Inert atmosphere; | 99% |
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Chemistry
Molecular structure of 2-Chloroisonicotinic acid (CAS NO.6313-54-8) is:
Product Name: 2-Chloroisonicotinic acid
CAS Registry Number: 6313-54-8
IUPAC Name: 2-chloropyridine-4-carboxylic acid
Molecular Weight: 157.55446 [g/mol]
Molecular Formula: C6H4ClNO2
XLogP3: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Melting Point: 246 °C (dec.)(lit.)
Surface Tension: 61 dyne/cm
Density: 1.47 g/cm3
Flash Point: 206.4 °C
Enthalpy of Vaporization: 70.75 kJ/mol
Boiling Point: 417.7 °C at 760 mmHg
Vapour Pressure: 1.01E-07 mmHg at 25°C
Product Categories: blocks;Carboxes;Pyridines;Pyridine;pyridine derivative;Acids and Derivatives;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;pharmacetical;Carboxylic Acids;Organic acids;Chloropyridines;Halopyridines;Carboxylic Acids;Picolinic acid series
Safety Profile
Safty information about 2-Chloroisonicotinic acid (CAS NO.6313-54-8) is:
Hazard Codes: 
Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2-Chloroisonicotinic acid , its cas register number is 6313-54-8. It also can be called 2-Chloro-4-pyridinecarboxylic acid ; 2-Chloro-4-pyridine carboxylic acid .It is a white crystall powder.