3,3'-Diethylthiatricarbocyanine iodide
- Product Name3,3'-Diethylthiatricarbocyanine iodide
- CAS3071-70-3
- MFC25H25IN2S2
- MW544.51
- EINECS221-342-9
- MOL File3071-70-3.mol
Chemical Properties
| Melting point | 211 °C (dec.)(lit.) |
| form | powder to crystal |
| color | Light yellow to Brown |
| Sensitive | Light Sensitive |
| λmax | 762nm(EtOH)(lit.) |
| BRN | 3843385 |
| InChI | 1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1 |
| InChIKey | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
| SMILES | [I-].CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c3sc4ccccc4[n+]3CC |
| CAS DataBase Reference | 3071-70-3 |
| EPA Substance Registry System | Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl]-, iodide (3071-70-3) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/37 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | DL7045000 |
| F | 8 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29342000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
