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| CAS No.: | 21278-86-4 |
|---|---|
| Name: | 2-(4-PYRIDYL)THIAZOLE-4-CARBOXYLIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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|
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| Formula: | C9H6N2O2S |
| Molecular Weight: | 206.225 |
| Synonyms: | 2-(4-Pyridinyl)-1,3-thiazole-4-carboxylic acid; |
| Density: | 1.44 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 469.3 °C at 760 mmHg |
| Flash Point: | 237.6 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 91.32000 |
| LogP: | 1.90330 |
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- Total:26 Page 1 of 1 1
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Specification
The 4-Thiazolecarboxylicacid, 2-(4-pyridinyl)-, with the CAS registry number of 21278-86-4, is also known as 2-(4-Pyridinyl)-1,3-thiazole-4-carboxylic acid. It belongs to the product categories of Carboxylic Acids; Thiazoles, Isothiazoles &Benzothiazoles; Heterocyclic Compounds; Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Heterocyclic Building Blocks; Thiazoles. This chemical's molecular formula is C9H6N2O2S and molecular weight is 206.22. What's more, its IUPAC name is 2-Pyridin-4-yl-1,3-thiazole-4-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the 4-Thiazolecarboxylicacid, 2-(4-pyridinyl)- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 80.32 Å2; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 52.34 cm3; (13)Molar Volume: 143.1 cm3; (14)Surface Tension: 70 dyne/cm; (15)Density: 1.44 g/cm3; (16)Flash Point: 237.6 °C; (17)Enthalpy of Vaporization: 77.08 kJ/mol; (18)Boiling Point: 469.3 °C at 760 mmHg; (19)Vapour Pressure: 1.31E-09 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nc(sc1)c2ccncc2
(2) InChI: InChI=1/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
(3) InChIKey: COOQMBOJAAZEIR-UHFFFAOYAB