6-Methylnicotinic acid
Synonym(s):6-Methylnicotinic acid;6-Methylpyridine-3-carboxylic acid
- CAS NO.：3222-47-7
- Empirical Formula: C7H7NO2
- Molecular Weight: 137.14
- MDL number: MFCD00006341
- EINECS: 670-942-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-25 23:13:37
What is 6-Methylnicotinic acid?
Chemical properties
6-Methylnicotinic acid is a white to light yellow to light orange powder to crystals with a melting point of 210 °C. Store under inert gas at room temperature.
The Uses of 6-Methylnicotinic acid
A degradation product of Nicotinic acid (N429250). An impurity of Nicotinic acid.
The Uses of 6-Methylnicotinic acid
6-Methylnicotinic acid is an intermediate of the drug etoricoxib (a non- steroidal anti-inflammatory drug for the treatment of arthritis and osteoarthritis). It is also used as organic intermediates.
General Description
The co-ordination complex of the formula [Ni(L1)2(H2O)4].4H2O where L1H = 6-methylpyridine-3-carboxylic acid was structurally charaterized using X-ray single crystal analysis.
Properties of 6-Methylnicotinic acid
| Melting point: | 210-213 °C (lit.) |
| Boiling point: | 251.96°C (rough estimate) |
| Density | 1.2528 (rough estimate) |
| refractive index | 1.5030 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Powder, Crystals and/or Chunks |
| pka | 2.37±0.10(Predicted) |
| color | White to light yellow to beige |
| Water Solubility | Sparingly soluble in water. |
| BRN | 112049 |
| InChI | InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10) |
| CAS DataBase Reference | 3222-47-7(CAS DataBase Reference) |
Safety information for 6-Methylnicotinic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 6-Methylnicotinic acid
| InChIKey | RZOKQIPOABEQAM-UHFFFAOYSA-N |
| SMILES | C1=NC(C)=CC=C1C(O)=O |
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