37793-53-6
| Name | N10-(TRIFLUOROACETYL)PTEROIC ACID |
| CAS | 37793-53-6 |
| Molecular Formula | C16H11F3N6O4 |
| MDL Number | MFCD00006707 |
| Molecular Weight | 408.29 |
| MOL File | 37793-53-6.mol |
Chemical Properties
| Melting point | 270 °C (dec.)(lit.) |
| Boiling point | 575.0±60.0 °C(Predicted) |
| density | 1.74±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMF (Slightly), DMSO (Slightly) |
| form | Solid |
| pka | 4.11±0.10(Predicted) |
| color | Brown to Dark Brown |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26) |
| InChIKey | IJGIHDXKYQLIMA-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)NC(N)=N3)C(C(F)(F)F)=O)C=C1 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Carc. 1B Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |