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Molecule
Mordant Orange 1
CAS: 2243-76-7 · C13H9N3O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2243-76-7
- Molecular Formula
- C13H9N3O5
- Molecular Mass
- 287.23 g/mol
Identifiers
CAS Registry Number
2243-76-7
SMILES
O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
InChI Key
YVJPMMYYRNHJAU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
Names and Synonyms
- Mordant Orange 1 Common Name
- Benzoic acid, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]- Synonym
- C.I. Mordant Orange 1 Synonym
- Benzoic acid, 2-hydroxy-5-[(4-nitrophenyl)azo]- Synonym
- Salicylic acid, 5-(p-nitrophenylazo)- Synonym
- 2-Hydroxy-5-[2-(4-nitrophenyl)diazenyl]benzoic acid Synonym
- C.I. 14030 Synonym
- Alizarine Chrome Orange G Synonym
- Alizarine Orange R Synonym
- Alizarine Orange 2GN Synonym
- Alizarine Orange RD Synonym
- Alizarine Yellow P Synonym
- Alizarine Yellow R-CF Synonym
- Alizarol Orange R Synonym
- Alphacroic Orange R Synonym
- Anthranol Chrome Yellow R Synonym
- Azochromol Orange R Synonym
- Brasilan Chrome Orange R Synonym
- Calcochrome Orange R Synonym
- Chromacid Orange S Synonym
- Chrome Fast Orange RW Synonym
- Chrome Orange Synonym
- Chrome Orange N Synonym
- Chrome Orange R Synonym
- Chrome Orange MR Synonym
- Chrome Orange RLE Synonym
- Chrome Yellow 3RN Synonym
- Chromol Orange R extra Synonym
- Diamond Chrome Yellow 3R Synonym
- Durochrome Yellow 2RN Synonym
- Eniacromo Orange R Synonym
- Eriochrome Orange AOR Synonym
- Fenakrom Orange R Synonym
- Hidachrome Orange R Synonym
- Hispacrom Orange R Synonym
- Java Chrome Yellow 3R Synonym
- Java Unichrome Yellow 3R Synonym
- KCA Chrome Orange R Synonym
- Kenachrome Orange Synonym
- Lighthouse Chrome Orange Synonym
- Magracrom orange Synonym
- Metachrome Orange R Synonym
- Mitsui Chrome Orange A Synonym
- Mitsui Chrome Orange AN Synonym
- Monochrome Orange R Synonym
- Monochrome Yellow 3R Synonym
- p-Nitrobenzeneazosalicylic acid Synonym
- Orthochrome Orange R Synonym
- Peerachrome Yellow R Synonym
- PNBAS Synonym
- Pontachrome Yellow 3RN Synonym
- Solochrome Orange M Synonym
- Synchromate Orange AOR Synonym
- Terracotta 2RN Synonym
- Terra Cotta RRN Synonym
- Tertrochrome Yellow 3R Synonym
- Yodochrome Orange A Synonym
- 4-Nitrobenzene-1-azo-5-salicylic acid Synonym
- Alizarine Yellow R Synonym
- RV 2 Synonym
- Alizarin orange Synonym
- Acid Alizarine Yellow R Synonym
- Alizarin Yellow R Synonym
- 5-(p-Nitrophenylazo)salicylic acid Synonym
- 5-(4-Nitrophenylazo)salicylic acid Synonym
- 2-Hydroxy-5-(4-nitrophenylazo)benzoic acid Synonym
- Mordant Orange 1 Synonym
- RV 2 (dye) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.23 g/mol | CAS Common Chemistry |
| 287.23100000000005 g/mol | RDKit | |
| 287.231 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC(N=NC2=CC=C(C=C2)N(=O)=O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=YVJPMMYYRNHJAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 253.5 °C (decomp) | CAS Common Chemistry |
| Name | Mordant Orange 1 | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 125.39 Ų | RDKit |
| 120.55 Ų | chempirical lib | |
| LogP | 3.414000000000001 | RDKit |
| 3.414 | RDKit | |
| Molar Refractivity | 72.33850000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 287.05422038800003 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 = 287.23 g/mol. Edit any field — others recompute live.
