1. Primary Information
| English name: | Methyl orange |
| CAS No.: | 547-58-0 |
| Molecular formula: | C14H14N3NAO3S |
| Molecular weight: | 327.34 g/mol |
| SMILES: | CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
C.I. 13025 C.I. Acid Orange 52 C.I. Acid Orange-52 C.I.-13025 Gold Orange |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | HPLC≥98% | 400 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100ml | 3.1-4.4 | 80 | RT,避光,12个月 | in stock | - |
| Kehua Intelligence | 25g | IND | 22 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | IND | 56 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | IND | 224 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
4.2 InChI
InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1
4.3 InChIKey
STZCRXQWRGQSJD-UHFFFAOYSA-M
4.4 Canonical SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
