6586-05-6
| Name | NEW METHYLENE BLUE N |
| CAS | 6586-05-6 |
| EINECS(EC#) | 229-516-6 |
| Molecular Formula | C36H44Cl4N6S2Zn |
| MDL Number | MFCD00078135 |
| Molecular Weight | 832.11 |
| MOL File | 6586-05-6.mol |
Chemical Properties
| Appearance | brown powder |
| Melting point | >240 °C (dec.)(lit.) |
| storage temp. | room temp |
| Water Solubility | Completely soluble in water |
| Colour Index | 52030 |
| form | Crystalline Powder |
| color | Dark brown to deep purple |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| ε(extinction coefficient) | ≥16000 at 242-248nm in H2O ≥28000 at 284-290nm in H2O ≥36000 at 588-594nm in H2O ≥44000 at 629-635nm in H2O |
| λmax | 591 nm 630 nm (2nd) |
| InChI | InChI=1S/C18H22N3S.3ClH.Zn/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;;;;/h7-10,19-20H,5-6H2,1-4H3;3*1H;/q+1;;;;+2/p-3 |
| InChIKey | GGKWUSWRGRCLEV-UHFFFAOYSA-K |
| SMILES | N(C1C(=CC2=NC3=CC(C)=C(NCC)C=C3[S+]=C2C=1)C)CC.[Zn](Cl)Cl.[Cl-] |
| CAS DataBase Reference | 6586-05-6 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H335-H315-H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 32041300 |