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Molecule
C.I. Acid Red 97
CAS: 10169-02-5 · C32H22N4Na2O8S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10169-02-5
- Molecular Formula
- C32H22N4Na2O8S2
- Molecular Mass
- 700.66 g/mol
Identifiers
CAS Registry Number
10169-02-5
SMILES
O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1-c1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O.[Na].[Na]
InChI Key
VSNSIVKRAMWIQP-UHFFFAOYSA-N
InChI
InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;
Names and Synonyms
- C.I. Acid Red 97 Common Name
- Tertracid Milling Red AGE Synonym
- [1,1′-Biphenyl]-2,2′-disulfonic acid, 4,4′-bis[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:2) Synonym
- C.I. Acid Red 97, disodium salt Synonym
- [1,1′-Biphenyl]-2,2′-disulfonic acid, 4,4′-bis[(2-hydroxy-1-naphthalenyl)azo]-, disodium salt Synonym
- C.I. 22890 Synonym
- Acid Anthracene Red G Synonym
- Acid Anthracene Red GA-CF Synonym
- Airedale Scarlet GM Synonym
- Alizarine Chrome Red G Synonym
- Altochrome Scarlet G Synonym
- Amacid Milling Scarlet G Synonym
- Anthra Red G Synonym
- Azo Milling Red G Synonym
- Belacid Milling Red G Synonym
- Benzyl Red GS Synonym
- Benzyl Red MG Synonym
- Calcocid Milling Red G Synonym
- Coomassie Milling Scarlet G Synonym
- Coomassie Milling Scarlet GP Synonym
- Coriacide Scarlet R Synonym
- Crispin Red GM Synonym
- Cyanine Fast Scarlet G Synonym
- Fenazo Red FG Synonym
- Hexaderm Red MRG Synonym
- Milling Red A Synonym
- Milling Scarlet R Synonym
- Milling Scarlet 2G Synonym
- Milling Scarlet DH Synonym
- Naphthalene Leather Scarlet G Synonym
- Optanol Scarlet GS Synonym
- Pharmaglo Red G Synonym
- Polycor Red GS Synonym
- Shikiso Acid Anthracene Red G Synonym
- Suminol Brilliant Scarlet DH Synonym
- Sumitomo Fast Scarlet G Synonym
- Supranol Scarlet GS Synonym
- Vondamol Brilliant Red G Synonym
- Xylene Milling Red G Synonym
- C.I. Acid Red 97 Synonym
- Korostan Red G Synonym
- Acid Red 97 Synonym
- Trupocolor Scarlet GM Synonym
- Acid Red G Synonym
- Acid Milling Red CG Synonym
- Ratna Acid Scarlet R Synonym
- Triacid Scarlet GC Synonym
- Colocid Red BG Synonym
- Acid Milling Scarlet 4B Synonym
- Anadurm Red M-RC Synonym
- D&C Red 22-308263 Synonym
- Sakolan Scarlet ZH Synonym
- Leather Milling Scarlet 3G Synonym
- Indacid Milling Red G Synonym
- Triacor Red GR Synonym
- Dynacid Red G Synonym
- Acid Red NS Synonym
- Covalene Scarlet G Synonym
- Acid Scarlet R Synonym
- Vopsider Red AG Synonym
- Romexal Red G Synonym
- Best Acid Milling Orange 3R Synonym
- Ambinyl Scarlet MG Synonym
- Sandolan Scarlet N 2G Synonym
- Kemacid Milling Red CG Synonym
- Vicoacid Red 97 Synonym
- Dinacid Fast Scarlet G Synonym
- Acid Milling Scarlet R Synonym
- Pacid Red Synonym
- Acidal Red MV Synonym
- Anaracid Scarlet R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 700.66 g/mol | CAS Common Chemistry |
| 700.6620000000004 g/mol | RDKit | |
| 700.662 g/mol | RDKit | |
| 702.664 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C=1C=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=CC1C4=CC=C(N=NC5=C(O)C=CC=6C=CC=CC65)C=C4S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);; | CAS Common Chemistry |
| InChI Key | InChIKey=VSNSIVKRAMWIQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Red 97 | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 198.64 Ų | RDKit |
| LogP | 7.633800000000008 | RDKit |
| 7.6338 | RDKit | |
| Molar Refractivity | 182.59279999999976 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 700.0674442240003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 700.66 g/mol. Edit any field — others recompute live.
