| Identification | More | [Name]
5-Chloro-6-hydroxy-3-pyridinecarboxylic acid | [CAS]
54127-63-8 | [Synonyms]
3-CHLORO-2-HYDROXYPYRIDINE-5-CARBOXYLIC ACID
5-CHLORO-6-HYDROXY-3-PYRIDINECARBOXYLIC ACID
5-CHLORO-6-HYDROXYNICOTINIC ACID
5-CHLORO-6-HYDROXYPYRIDINE-3-CARBOXYLIC ACID
TIMTEC-BB SBB003814
5-Chloro-6-hydroxynicotinicacid,98%
3-Chloro-2-hydroxypyridine-5-carboxylic acid 98%
3-Chloro-2-hydroxypyridine-5-carboxylicacid98% | [Molecular Formula]
C6H4ClNO3 | [MDL Number]
MFCD00052950 | [Molecular Weight]
173.55 | [MOL File]
54127-63-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige fine crystalline powder | [Melting point ]
≥300 °C(lit.) | [Boiling point ]
334.6±42.0 °C(Predicted) | [density ]
1.4914 (rough estimate) | [refractive index ]
1.5810 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.38±0.50(Predicted) | [color ]
White to Light yellow to Light orange | [CAS DataBase Reference]
54127-63-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
2933399990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige fine crystalline powder | [Uses]
5-Chloro-6-hydroxynicotinic acid serves as a ligand for exploring structure–biological activity relationships of triphenyltin esters[2]. It reacts with Ph3SnCl and sodium ethoxide in 1:1:1 stoichiometry to form a triphenyltin compound, and with (R3Sn)2O (R = Ph, 2-ClC6H4CH2, 2-FC6H4CH2, 4-CNC6H4CH2) in 1:2 stoichiometry to yield triorganotin compounds[2][3]. | [References]
[1] Rui C. Santos. “Energetics and Structure of Hydroxynicotinic Acids. Crystal Structures of 2-, 4-, 6-Hydroxynicotinic and 5-Chloro-6-hydroxynicotinic Acids.” The Journal of Physical Chemistry B 113 43 (2009): 14291–14309.
[2]Gao, Z., Zhang, H., & Sha, J. (2021). Synthesis and crystal structure of the one-dimensional chain triphenyltin compound bridged by 5-chloro-6-hydroxynicotinic acid. IOP Conference Series: Materials Science and Engineering, 1040(1), 012010. https://doi.org/10.1088/1757-899x/1040/1/012010
[3]Gao, Z., Yin, H., & Kong, Y. (2008). Synthesis and Structure Characterization of Some Triorganotin Esters of Heteroaromatic Carboxylic Acid and Crystal Structure of Triphenyltin Esters of 6-Hydroxynicotinic Acid and 5-Chloro-6-hydroxynicotinic Acid. Journal of Inorganic and Organometallic Polymers and Materials, 18(3), 391–397. https://doi.org/10.1007/s10904-008-9214-z |
| Questions And Answer | Back Directory | [Structure]
5-Chloro-6-hydroxynicotinic Acid （5Cl6HNA) was recrystallized four times from ethanol at 345 K. The obtained white crystalline solid was first dried in a vacuum at 1.3 Pa and 353 K. The crystals were then ground with a mortar and a pestle and further dried for 24 h at 1.3 Pa and 353 K. The powder pattern obtained at 295 ± 1 K was indexed as monoclinic, space group P21/c, with a= 5.478 Å, b= 10.545 Å, c= 11.796 Å, β=97.76°. These results are in agreement with those obtained in this work from single crystal X-ray diffraction experiments carried out at 293 ±2K(P21/c, a ) 5.469 Å, b = 10.529 Å, c= 11.795 Å, β= 97.72°). DSC (fusion, β= 2 K ·min-1 ): Ton= 582.2 K and Tmax= 585.6 K[1].
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