HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methylene Green
CI 52020 · CI NO 52020 · Methylene green · C.I. Basic Green 5 · Methylene Green,pure · Methylene green, Certified · C.I.Basic Green 5:C.I.52020 · Methylene Green C.I. No. 52020
Identifiers & Physical Properties
| CAS No. | 2679-01-8 |
|---|---|
| Molecular formula | C16H17N4O2S.Cl |
| Average molar mass | 364.9 g/mol |
| Monoisotopic mass | 364.0760747 g/mol |
| SMILES | CN(C)c1ccc2nc3ccc(=[N+](C)C)c([N+](=O)[O-])c-3sc2c1.[Cl-] |
| InChIKey | YYGBVRCTHASBKD-UHFFFAOYSA-M |
| PubChem CID | 75889 |
| ChEBI | CHEBI:87675 |
| EC No. | 220-231-2 |
| DTXSID | DTXSID70949598 |
Chemical & Physical Properties
| Topological polar surface area | 89.7 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 653 |
| Chemical classes | Dyes -> Azine Dyes |
| Physical Description | Brown-black solid[Acros Organics MSDS] |
| Physical state | Powder |
| Color | Black |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| FDA UNII | F1IO2ZP7BU |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | 3 |
Safety & Regulations
| Regulatory information | Chemical: Phenothiazin-5-ium, 3,7-bis(dimethylamino)-4-nitro-, chloride |
|---|---|
| Hazards summary | A skin and eye irritantHarmful by ingestion[Acros Organics MSDS] See Methylene blue and Azure C. |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 22 |
| Hazard symbols | Xn |
Preparation & Synthesis
Preparation
commonly known as Methylene Green. (C.I.Basic Blue 9, C.I. 52015) in the first use of hydrochloric acid sodium nitrite processing, and then treated with nitric acid and zinc chloride double salt precipitation..