1. Primary Information
| English name: | Methyl Blue |
| CAS No.: | 28983-56-4 |
| Molecular formula: | C37H27N3NA2O9S3 |
| Molecular weight: | 799.8 g/mol |
| SMILES: | C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
Acid Blue 93 disodium ((4-(bis(4-((sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate Methyl Blue |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100ml | Methyl blue,1% | 152 | RT,避光,12个月 | in stock | - |
| Kehua Intelligence | 100ml | Methyl blue,0.5% | 104 | RT,避光,12个月 | in stock | - |
| Kehua Intelligence | 100ml | 11.0-13.0 | 112 | RT,避光,12个月 | in stock | - |
| Kehua Intelligence | 25g | BS | 28 | RT | in stock | - |
| Kehua Intelligence | 100g | BS | 88 | RT | in stock | - |
| Kehua Intelligence | 500g | BS | 344 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
disodium;4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate
4.2 InChI
InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
4.3 InChIKey
MCPLVIGCWWTHFH-UHFFFAOYSA-L
4.4 Canonical SMILES
C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+]
4.5 Isomeric SMILES
-
