37247-10-2
Product Name:
Azure II
Formula:
C31H34Cl2N6S2
Synonyms:
3,7 Bis(dimethylamino)phenothiazin-5-ium chloride and 3-(Dimethylamino)-7-(methylamino)-phenothiazin-5-ium chloride;Azure II (C.I.52010/52015)
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Dyes -> Azine Dyes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 625.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 624.1663428 g/mol |
| Monoisotopic Mass | 624.1663428 g/mol |
| Topological Polar Surface Area | 96.6 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 980 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |