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Mordant Orange 1
CAS: 2243-76-7 | C13H9N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2243-76-7
Molecular Formula:
C13H9N3O5
Molecular Mass:
287.23 g/mol
Names and Synonyms:
Mordant Orange 1
Benzoic acid, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
C.I. Mordant Orange 1
Benzoic acid, 2-hydroxy-5-[(4-nitrophenyl)azo]-
Salicylic acid, 5-(p-nitrophenylazo)-
2-Hydroxy-5-[2-(4-nitrophenyl)diazenyl]benzoic acid
C.I. 14030
Alizarine Chrome Orange G
Alizarine Orange R
Alizarine Orange 2GN
Alizarine Orange RD
Alizarine Yellow P
Alizarine Yellow R-CF
Alizarol Orange R
Alphacroic Orange R
Anthranol Chrome Yellow R
Azochromol Orange R
Brasilan Chrome Orange R
Calcochrome Orange R
Chromacid Orange S
Chrome Fast Orange RW
Chrome Orange
Chrome Orange N
Chrome Orange R
Chrome Orange MR
Chrome Orange RLE
Chrome Yellow 3RN
Chromol Orange R extra
Diamond Chrome Yellow 3R
Durochrome Yellow 2RN
Eniacromo Orange R
Eriochrome Orange AOR
Fenakrom Orange R
Hidachrome Orange R
Hispacrom Orange R
Java Chrome Yellow 3R
Java Unichrome Yellow 3R
KCA Chrome Orange R
Kenachrome Orange
Lighthouse Chrome Orange
Magracrom orange
Metachrome Orange R
Mitsui Chrome Orange A
Mitsui Chrome Orange AN
Monochrome Orange R
Monochrome Yellow 3R
p-Nitrobenzeneazosalicylic acid
Orthochrome Orange R
Peerachrome Yellow R
PNBAS
Pontachrome Yellow 3RN
Solochrome Orange M
Synchromate Orange AOR
Terracotta 2RN
Terra Cotta RRN
Tertrochrome Yellow 3R
Yodochrome Orange A
4-Nitrobenzene-1-azo-5-salicylic acid
Alizarine Yellow R
RV 2
Alizarin orange
Acid Alizarine Yellow R
Alizarin Yellow R
5-(p-Nitrophenylazo)salicylic acid
5-(4-Nitrophenylazo)salicylic acid
2-Hydroxy-5-(4-nitrophenylazo)benzoic acid
Mordant Orange 1
RV 2 (dye)
Identifiers:
SMILES:
O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
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)
Key Properties
Melting Point
253.5 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.23 g/mol | CAS Common Chemistry |
| 287.23100000000005 g/mol | RDKit | |
| 287.05422038800003 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 |
| LogP | 3.414000000000001 | RDKit |
| Molar Refractivity | 72.33850000000001 | RDKit |
