528-44-9
| Name | 1,2,4-Benzenetricarboxylic acid |
| CAS | 528-44-9 |
| EINECS(EC#) | 208-432-3 |
| Molecular Formula | C9H6O6 |
| MDL Number | MFCD00002470 |
| Molecular Weight | 210.14 |
| MOL File | 528-44-9.mol |
Chemical Properties
| Appearance | Colorless crystals.Partially soluble in DMF and alcohol; insoluble in benzene and carbon disulfide; slightly soluble in water. |
| Melting point | 229-231 °C (dec.) (lit.) |
| Boiling point | 309.65°C (rough estimate) |
| density | 1.4844 (rough estimate) |
| refractive index | 1.6630 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 2.1g/l |
| form | Crystalline Powder |
| pka | pK1: 2.52;pK2: 3.84;pK3: 5.20 (25°C) |
| color | White |
| Water Solubility | 2.1 G/100 ML (25 ºC) |
| Merck | 14,9702 |
| BRN | 2214815 |
| InChI | 1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) |
| InChIKey | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
| SMILES | OC(C1=C(C(O)=O)C=C(C(O)=O)C=C1)=O |
| LogP | 1.240 (est) |
| CAS DataBase Reference | 528-44-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,2,4-Benzenetricarboxylic acid(528-44-9) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | DC1980000 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HS Code | 29173990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |