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CAS No.: | 5470-22-4 |
---|---|
Name: | 4-Chloropyridine-2-carboxylic acid |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C6H4ClNO2 |
Molecular Weight: | 157.556 |
Synonyms: | Picolinicacid, 4-chloro- (6CI,7CI,8CI);4-Chloro-2-carboxypyridine;4-Chloropicolinicacid;NSC 26285;4-Chloropicolinic acid; |
EINECS: | -0 |
Density: | 1.47 g/cm3 |
Melting Point: | 181 °C |
Boiling Point: | 308 °C at 760 mmHg |
Flash Point: | 140.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 1.43320 |
4-Chloro-pyridine-2-carboxylic acid methyl ester
4-chloropicolinic acid
Conditions | Yield |
---|---|
With sodium hydroxide at 20℃; for 1h; | 87% |
Stage #1: 4-Chloro-pyridine-2-carboxylic acid methyl ester With methanol; sodium hydroxide; water at 20℃; for 0.25h; Stage #2: With hydrogenchloride; water pH=2; | |
Stage #1: 4-Chloro-pyridine-2-carboxylic acid methyl ester With methanol; sodium hydroxide; water at 0 - 20℃; for 0.25h; Stage #2: With hydrogenchloride; water pH=2; |
4-chloro-pyridine-2-carbonitrile
4-chloropicolinic acid
Conditions | Yield |
---|---|
With sodium carbonate; sodium sulfite In ice-water; sulfuric acid; water | 54.9% |
Conditions | Yield |
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Stage #1: 2-Picolinic acid With thionyl chloride; sodium bromide for 20h; Heating / reflux; Stage #2: With water at -2 - 2℃; | 28% |
Multi-step reaction with 2 steps 1: 1) SOCl2, DMF / 1) 40-45 deg C, 45 min; 45->72 deg C, 2 h; 72 deg C, 21 h, 2) toluene, room temperature, 1 h 2: 1) 57percent HI, aq. hypophosphorous acid, 2) aq. NaOH / 1) 107 deg C, 6 h, 2) 95 deg C, 30 min; room temperature, 1 h View Scheme | |
With thionyl chloride In N,N-dimethyl-formamide at 95℃; for 12h; |
Conditions | Yield |
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With potassium permanganate |
4-chloro-pyridine-2-carbonyl chloride
4-chloropicolinic acid
Conditions | Yield |
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With water | |
With water |
Conditions | Yield |
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With potassium permanganate; sulfuric acid; water |
Conditions | Yield |
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With thionyl chloride; sulfur dioxide Behandeln des Reaktionsprodukts mit H2O; | |
With thionyl chloride In water at 0℃; Reflux; |
A
4-chloropicolinic acid
Conditions | Yield |
---|---|
With sodium hydroxide; hydrogen iodide; hypophosphorous acid 1) 107 deg C, 6 h, 2) 95 deg C, 30 min; room temperature, 1 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
2-Picolinic acid
thionyl chloride
A
4-chloropicolinic acid
B
4,6-dichloro-2-pyridinecarboxylic acid
C
4,5,6-trichloropicolinic acid
Conditions | Yield |
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Irradiation; |
Conditions | Yield |
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With phosphorus pentachloride at 250 - 270℃; im Rohr; Behandeln des Reaktionsprodukts mit Schwefelsaeure; |
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The 4-Chloropyridine-2-carboxylic acid, with the cas register number 5470-22-4, is also known to us as iflab-bb f1926-0017; 4-chloropicolinic acid; 4-chloropyridine-2-carboxylic acid; 4-chloro-2-pyridinecarboxylic acid; chloropicolinicacid; 4-chloropyridine-2-carboxylic; 4-chloropicolinic acid 99%; 4-chloropicolinic acid ,98%.
The physical properties of this chemical are as followings: (1)ACD/LogP: 0.76; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1 ; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3 ; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 39.19 ; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 36.16 cm3; (12)Molar Volume: 107.1 cm3; (13)Polarizability: 14.33× 10-24 cm3; (14)Surface Tension: 61 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 140.1 °C; (17)Enthalpy of Vaporization: 57.93 kJ/mol; (18)Boiling Point: 308 °C at 760 mmHg; (19)Vapour Pressure: 0.000303 mmHg at 25°C.
Being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. So while dealing with this chemical, you'd better take the following instrction. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When store it, it should be kept in cool storeroom.
This kind of chemical is usually applied in BPC(bulk pharmaceutical chemicals). As to its product categories, there are various, including blocks; carboxes; pyridines; pyridine series; acids and derivatives; heterocycles; pharmacetical; carboxylic acids; pyridine; chloropyridines; halopyridines; carboxylic acids; While its raw materials are hydrochloric acid, acetic acid glacial, nitric acid, sodium carbonate, hydrogen peroxide, potassium permanganate, sulfuric acid, 2-picoline, 2-methyl-4-nitropyridine.
In addition, you could obtain the molecular structure by converting the following datas:
SMILES:Clc1ccnc(C(=O)O)c1
InChI:InChI=1/C6H4ClNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)
InChIKey:NNMYRMGMVLMQAY-UHFFFAOYAQ