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Molecule
Acid Red 73
CAS: 5413-75-2 · C22H16N4Na2O7S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5413-75-2
- Molecular Formula
- C22H16N4Na2O7S2
- Molecular Mass
- 558.51 g/mol
Identifiers
CAS Registry Number
5413-75-2
SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1.[Na].[Na]
InChI Key
HLTWNOPZIDOIML-UHFFFAOYSA-N
InChI
InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;
Names and Synonyms
- Acid Red 73 Common Name
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:2) Synonym
- Acid Brilliant Scarlet GR Synonym
- Croceine Scarlet 070000 Synonym
- Colocid Crocein Scarlet MOO Synonym
- Acid Croceine Scarlet MOO Synonym
- Kemacid Crocein Scarlet MOO Synonym
- Acid Brilliant Scarlet GR 4037 Synonym
- Dycosacid Scarlet GR Synonym
- Aluminium Red R Synonym
- Rybacel Red AL Synonym
- Acid Crocein MOO Synonym
- Acid Red MOO Synonym
- BTK Croceine Scarlet MOO Synonym
- Sandolan Brilliant Scarlet E 3BC Synonym
- Dinacid Croceine Scarlet MOO Synonym
- Simacid Croceine Scarlet Synonym
- Conacid Red LC Synonym
- Borunil Red A-R Synonym
- Acid Scarlet MOO Synonym
- Covalene Scarlet B Synonym
- Dyacid Scarlet 3B Synonym
- Acid Crocein Scarlet Synonym
- Dinacid Scarlet MOO Synonym
- Ritacid Crocein MOO Synonym
- Indacid Scarlet MOO Synonym
- Anadurm Scarlet A 3B Synonym
- Acid Red GR Synonym
- Water Red 3 Synonym
- C.I. Acid Red 73, disodium salt Synonym
- C.I. Acid Red 73 Synonym
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, disodium salt Synonym
- Croceine Scarlet MOO Synonym
- C.I. 27290 Synonym
- Acidal Bright Croceine Synonym
- Acid Fast Red RN Synonym
- Acid Leather Red PSNR Synonym
- Acid Red 73 Synonym
- Acilan Croceine MOO Synonym
- Airedale Scarlet MO Synonym
- Amacid Brilliant Croceine 3BA Synonym
- Atul Croceine Scarlet MOO Synonym
- Brilliant Croceine Synonym
- Brilliant Croceine 3BA-CF Synonym
- Brilliant Croceine LBH Synonym
- Brilliant Croceine MO Synonym
- Brilliant Croceine MOO Synonym
- Brilliant Croceine MOOL Synonym
- Brilliant Croceine Scarlet M Synonym
- Brilliant Croceine Scarlet N Synonym
- Brilliant Croceine SWW Synonym
- Brilliant Red 2EMBL Synonym
- Brilliant Red EMBL Synonym
- Brilliant Scarlet R Synonym
- Brilliant Scarlet LC Synonym
- Calcocid Scarlet MOON Synonym
- Croceine Brilliant Scarlet 3BC Synonym
- Croceine Brilliant Scarlet 3BS Synonym
- Croceine Scarlet M Synonym
- Croceine Scarlet 3B Synonym
- Croceine Scarlet MOON Synonym
- Croceine Scarlet SS Synonym
- Crocein Scarlet N Synonym
- Crocein Scarlet MOO Synonym
- Curol Brilliant Red G Synonym
- Eniacid Brilliant Scarlet Synonym
- Erionyl Red E-GR Synonym
- Eriosin Red GR Synonym
- Fenazo Red XG Synonym
- Hidacid Brilliant Crocein Scarlet Synonym
- Hispacid Scarlet M Synonym
- Java Brilliant Scarlet MOO Synonym
- Kiton Fast Scarlet A Synonym
- Kiton Scarlet MOO Synonym
- Brilliant Croceine M Synonym
- Brilliant Croceine P Synonym
- Brilliant Croceine 3B Synonym
- Brilliant Croceine 3BM Synonym
- Oxanal Scarlet A Synonym
- Paper Scarlet R Synonym
- Paper Scarlet A extra Synonym
- Paper Scarlet WEG Synonym
- Ponceau PSNR Synonym
- Scarlet MOO Synonym
- Tertracid Brilliant Croceine MOO Synonym
- Vondacid Light Scarlet MOO Synonym
- Wood Stain Scarlet NS Synonym
- Wool Fast Scarlet G Synonym
- Acid Red 2Zh Synonym
- Ext D and C Red No. 13 Synonym
- Woodstain Scarlet Synonym
- Croceine Acid Red Synonym
- C.I. Solvent Red 69 Synonym
- Scarlet M Crude Synonym
- Croceine Scarlet MOOP Synonym
- Brilliant Crocein M Synonym
- Egacid Red MOOL Synonym
- Orbacid Croceine MOO Synonym
- Fire Red BR 9825 Synonym
- Atul Crocein Scarlet MOO Synonym
- Acid Scarlet GR Synonym
- Orient Water Red 3 Synonym
- Brilliant Scarlet R (Chinese) Synonym
- Acid Scarlet B Synonym
- Libacid Crocein Scarlet LMOO Synonym
- Red R for Aluminium Synonym
- Acid Crocein Scarlet MOO Synonym
- Pacid Crocein Scarlet MOO Synonym
- Triacid Light Croceine MOO Synonym
- Dycosacid Red MOO Synonym
- Vicoacid Croceine Scarlet MOO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 558.51 g/mol | CAS Common Chemistry |
| 558.5050000000002 g/mol | RDKit | |
| 558.505 g/mol | RDKit | |
| 560.507 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC2=CC=C(O)C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)=C2C(=C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);; | CAS Common Chemistry |
| InChI Key | InChIKey=HLTWNOPZIDOIML-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acid Red 73 | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 178.41 Ų | RDKit |
| LogP | 5.108000000000005 | RDKit |
| 5.108 | RDKit | |
| Molar Refractivity | 137.98599999999988 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 558.0255794120001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 558.51 g/mol. Edit any field — others recompute live.