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NSC 45193
CAS: 2425-85-6 | C17H13N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2425-85-6
- Molecular Formula
- C17H13N3O3
- Molecular Mass
- 307.31 g/mol
Identifiers
CAS Registry Number
2425-85-6
SMILES
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChI Key
ZLFVRXUOSPRRKQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3
Names and Synonyms
- NSC 45193 Synonym
- Toluidine Red Synonym
- 2-Naphthalenol, 1-[2-(4-methyl-2-nitrophenyl)diazenyl]- Synonym
- C.I. Pigment Red 3 Synonym
- 2-Naphthalenol, 1-[(4-methyl-2-nitrophenyl)azo]- Synonym
- Toluidine red Synonym
- 1-[2-(4-Methyl-2-nitrophenyl)diazenyl]-2-naphthalenol Synonym
- C.I. 12120 Synonym
- Accosperse Toluidine Red XL Synonym
- ADC Toluidine Red B Synonym
- Calcotone Toluidine Red YP Synonym
- Carnelio Helio Red Synonym
- Chromatex Red J Synonym
- Dainichi Permanent Red 4R Synonym
- Deep Fastona Red Synonym
- Duplex Toluidine Red L 20-3140 Synonym
- Eljon Fast Scarlet PV Extra Synonym
- Eljon Fast Scarlet RN Synonym
- Enialit Light Red RL Synonym
- Fastona Red B Synonym
- Fastona Scarlet RL Synonym
- Fastona Scarlet YS Synonym
- Fast Red A Synonym
- Fast Red J Synonym
- Fast Red R Synonym
- Fast Red AB Synonym
- Fast Red JE Synonym
- Hansa Red B Synonym
- Hansa Scarlet RB Synonym
- Hansa Red G Synonym
- Hansa Scarlet RN Synonym
- Hansa Scarlet RNC Synonym
- Helio Fast Red BN Synonym
- Helio Fast Red RL Synonym
- Helio Fast Red RN Synonym
- Helio Red RL Synonym
- Helio Red Toner Synonym
- Hispalit Fast Scarlet RN Synonym
- Independence Red Synonym
- Irgalite Fast Red P 4R Synonym
- Irgalite Fast Scarlet RND Synonym
- Irgalite Red PV 2 Synonym
- Irgalite Red RNPX Synonym
- Irgalite Scarlet RB Synonym
- Isol Fast Red HB Synonym
- Isol Fast Red RN 2B Synonym
- Isol Fast Red RN 2G Synonym
- Isol Fast Red RNB Synonym
- Isol Fast Red RNG Synonym
- Isol Toluidine Red HB Synonym
- Isol Toluidine Red RN 2B Synonym
- Isol Toluidine Red RN 2G Synonym
- Isol Toluidine Red RNB Synonym
- Isol Toluidine Red RNG Synonym
- Kromon Helio Fast Red Synonym
- Kromon Helio Fast Red YS Synonym
- Lake Red 4R Synonym
- Lake Red 4RII Synonym
- Lithol Fast Scarlet RN Synonym
- Lutetia Fast Red 3R Synonym
- Lutetia Fast Scarlet RF Synonym
- Lutetia Fast Scarlet RJN Synonym
- Monolite Fast Scarlet CA Synonym
- Monolite Fast Scarlet GSA Synonym
- Monolite Fast Scarlet RBA Synonym
- Monolite Fast Scarlet RN Synonym
- Monolite Fast Scarlet RNA Synonym
- Monolite Fast Scarlet RNV Synonym
- Monolite Fast Scarlet RT Synonym
- 1-(o-Nitro-p-tolylazo)-2-naphthol Synonym
- No. 2 Forthfast Scarlet Synonym
- Oralith Red P 4R Synonym
- Permanent Red 4R Synonym
- Pigment Red RL Synonym
- Pigment Scarlet B Synonym
- Polymo Red FGN Synonym
- Recolite Fast Red RBL Synonym
- Recolite Fast Red RL Synonym
- Recolite Fast Red RYL Synonym
- Sanyo Scarlet Pure Synonym
- Sanyo Scarlet Pure No. 1000 Synonym
- Scarlet Pigment RN Synonym
- Segnale Light Red B Synonym
- Segnale Light Red C 4R Synonym
- Segnale Light Red 2B Synonym
- Segnale Light Red BR Synonym
- Segnale Light Red RL Synonym
- Siegle Red B Synonym
- Siegle Red 1 Synonym
- Siegle Red BB Synonym
- Silogomma Red RLL Synonym
- Silosol Red RBN Synonym
- Silosol Red RN Synonym
- Siloton Red BRLL Synonym
- Siloton Red RLL Synonym
- Symuler Fast Scarlet 4R Synonym
- Syton Fast Scarlet RB Synonym
- Syton Fast Scarlet RD Synonym
- Syton Fast Scarlet RN Synonym
- Tertropigment Red HAB Synonym
- Tertropigment Scarlet LRN Synonym
- Toluidine Red D 28-3930 Synonym
- Toluidine Red M 20-3785 Synonym
- Toluidine Red R Synonym
- Toluidine Red 3B Synonym
- Toluidine Red 4R Synonym
- Toluidine Red 10451 Synonym
- Toluidine Red BFB Synonym
- Toluidine Red BFGG Synonym
- Toluidine Red Light Synonym
- Toluidine Red RT 115 Synonym
- Toluidine Red Toner Synonym
- Toluidine Red XL 20-3050 Synonym
- Toluidine Toner Synonym
- Toluidine Toner L 20-3300 Synonym
- Toluidine Toner Dark 5040 Synonym
- C.P. Toluidine Toner A 2989 Synonym
- C.P. Toluidine Toner A 2990 Synonym
- C.P. Toluidine Toner Dark RS 3340 Synonym
- C.P. Toluidine Toner Deep X 1865 Synonym
- Toluidine Toner HR-X 2700 Synonym
- Toluidine Toner HR-X 2741 Synonym
- Toluidine Toner Keep HR-X 2742 Synonym
- C.P. Toluidine Toner Light RS 3140 Synonym
- Toluidine Toner RT 252 Synonym
- Versal Scarlet PRNL Synonym
- Versal Scarlet RNL Synonym
- Vulcafor Scarlet A Synonym
- C.P. Toluidine Toner RT 6101 Synonym
- C.P. Toluidine Toner RT 6104 Synonym
- D and C Red No. 35 Synonym
- Pigment Scarlet R Synonym
- Monolite Fast Scarlet RB Synonym
- 1-[(2-Nitro-4-methylphenyl)azo]-2-naphthol Synonym
- Pigment Red 3 Synonym
- 1-(4-Methyl-2-nitrophenylazo)-2-naphthol Synonym
- Pigment Scarlet Synonym
- Pigment Scarlet (Russian) Synonym
- Graphtol Red A 4RL Synonym
- Fast Red A (pigment) Synonym
- Japan Red 221 Synonym
- Japan Red No. 221 Synonym
- Atlasol Spirit Red 3 Synonym
- Seikafast Red 4R4016 Synonym
- Symuler Fast Red 4R100 Synonym
- Pigment Scarlet N Synonym
- Sico Red L 3750 Synonym
- 2-Nitro-p-toluidine-2-naphthol Synonym
- Pigment Scarlet Conc. Synonym
- Toluidine Red B Synonym
- Toluidine Red RB 0336C Synonym
- Red No. 221 Synonym
- Toluidene Red Synonym
- 1-((4-Methyl-2-nitrophenyl)diazenyl)naphthalen-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.31 g/mol | CAS Common Chemistry |
| 307.3090000000001 g/mol | RDKit | |
| 307.309 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZLFVRXUOSPRRKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Toluidine red | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 88.09 Ų | RDKit |
| 83.25 Ų | chempirical lib | |
| LogP | 5.177420000000005 | RDKit |
| 5.1774 | RDKit | |
| Molar Refractivity | 87.62220000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0588 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 307.09569127599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
