
13080-86-9
| Name | 4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline |
| CAS | 13080-86-9 |
| EINECS(EC#) | 235-985-8 |
| Molecular Formula | C27H26N2O2 |
| MDL Number | MFCD00039152 |
| Molecular Weight | 410.51 |
| MOL File | 13080-86-9.mol |
Chemical Properties
| Melting point | 127-130 °C(lit.) |
| Boiling point | 587.1±50.0 °C(Predicted) |
| density | 1.178±0.06 g/cm3(Predicted) |
| vapor pressure | 0-0Pa at 20-25℃ |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| form | Solid:particulate/powder |
| pka | 5.16±0.10(Predicted) |
| Appearance | White to off-white Solid |
| Water Solubility | Very slightly soluble in water. Soluble in acetone, Dimethyl sulfoxide(DMSO). |
| Henry's Law Constant | 2.0×108 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3 |
| InChIKey | KMKWGXGSGPYISJ-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C)C |
| LogP | 4.3-4.9 at 35℃ and pH7 |
| CAS DataBase Reference | 13080-86-9(CAS DataBase Reference) |
| EPA Substance Registry System | 13080-86-9(EPA Substance) |
Safety Data
| Symbol(GHS) | ![]() GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | CY1062500 |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29222990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
