Dimethyl 5-aminoisophthalate
- Product NameDimethyl 5-aminoisophthalate
- CAS99-27-4
- MFC10H11NO4
- MW209.2
- EINECS202-743-8
- MOL File99-27-4.mol
Chemical Properties
| Melting point | 178-181 °C (lit.) |
| Boiling point | 178-180 °C |
| Density | 1.248±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Soluble in Chloroform. |
| form | powder to crystal |
| pka | 2.31±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| BRN | 2116565 |
| InChI | InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3 |
| InChIKey | DEKPYXUDJRABNK-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)=CC(N)=CC(C(OC)=O)=C1 |
| CAS DataBase Reference | 99-27-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Aminoisophthalic acid, dimethyl ester(99-27-4) |
| EPA Substance Registry System | 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester (99-27-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29224999 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |