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CAS No.: | 636-80-6 |
---|---|
Name: | PICOLINIC ACID HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6ClNO2 |
Molecular Weight: | 159.572 |
Synonyms: | 2-Pyridinecarboxylicacid, hydrochloride (9CI);Picolinic acid, hydrochloride (8CI);a-Picolinic acid hydrochloride; |
EINECS: | 211-266-4 |
Melting Point: | 229 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 292.5 °C at 760 mmHg |
Flash Point: | 130.7 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 1.58180 |
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The 2-Pyridinecarboxylicacid, hydrochloride is an organic compound with the formula C6H6ClNO2. The IUPAC name of this chemical is Pyridine-2-carboxylic acid hydrochloride. With the CAS registry number 636-80-6, it is also named as Acide pyridine-2-carboxylique chlorhydrate. The category of the product is Pyridinium Compounds. Besides, its molecular weight is 159.57.
The physical properties of 2-Pyridinecarboxylicacid, hydrochloride are: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -1.82; (3)ACD/LogD (pH 7.4): -3.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19 Å2; (12)Flash Point: 130.7 °C; (13)Enthalpy of Vaporization: 56.18 kJ/mol; (14)Boiling Point: 292.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000836 mmHg at 25 °C.
Uses of 2-Pyridinecarboxylicacid, hydrochloride: it can be used to produce (+-)-Piperidine-2-carboxylic acid at temperature of 60 °C. It will need reagent hydrogen, catalyst platinum oxide and solvent H2O with reaction time of 5 hours. The yield is about 100%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ncccc1.Cl
(2)InChI: InChI=1/C6H5NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);1H
(3)InChIKey: HFAFXVOPGDBAOK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H5NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);1H
(5)Std. InChIKey: HFAFXVOPGDBAOK-UHFFFAOYSA-N