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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 Weight:
287.23100000000005 g/mol
Names and Synonyms:
Mordant Orange 1
RV 2 (dye)
Mordant Orange 1
2-Hydroxy-5-(4-nitrophenylazo)benzoic acid
5-(4-Nitrophenylazo)salicylic acid
5-(p-Nitrophenylazo)salicylic acid
Alizarin Yellow R
Acid Alizarine Yellow R
Alizarin orange
RV 2
Alizarine Yellow R
4-Nitrobenzene-1-azo-5-salicylic acid
Yodochrome Orange A
Tertrochrome Yellow 3R
Terra Cotta RRN
Terracotta 2RN
Synchromate Orange AOR
Solochrome Orange M
Pontachrome Yellow 3RN
PNBAS
Peerachrome Yellow R
Orthochrome Orange R
p-Nitrobenzeneazosalicylic acid
Monochrome Yellow 3R
Monochrome Orange R
Mitsui Chrome Orange AN
Mitsui Chrome Orange A
Metachrome Orange R
Magracrom orange
Lighthouse Chrome Orange
Kenachrome Orange
KCA Chrome Orange R
Java Unichrome Yellow 3R
Java Chrome Yellow 3R
Hispacrom Orange R
Hidachrome Orange R
Fenakrom Orange R
Eriochrome Orange AOR
Eniacromo Orange R
Durochrome Yellow 2RN
Diamond Chrome Yellow 3R
Chromol Orange R extra
Chrome Yellow 3RN
Chrome Orange RLE
Chrome Orange MR
Chrome Orange R
Chrome Orange N
Chrome Orange
Chrome Fast Orange RW
Chromacid Orange S
Calcochrome Orange R
Brasilan Chrome Orange R
Azochromol Orange R
Anthranol Chrome Yellow R
Alphacroic Orange R
Alizarol Orange R
Alizarine Yellow R-CF
Alizarine Yellow P
Alizarine Orange RD
Alizarine Orange 2GN
Alizarine Orange R
Alizarine Chrome Orange G
C.I. 14030
2-Hydroxy-5-[2-(4-nitrophenyl)diazenyl]benzoic acid
Salicylic acid, 5-(p-nitrophenylazo)-
Benzoic acid, 2-hydroxy-5-[(4-nitrophenyl)azo]-
C.I. Mordant Orange 1
Benzoic acid, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 287.23 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CC(N=NC2=CC=C(C=C2)N(=O)=O)=CC=C1O None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=YVJPMMYYRNHJAU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 253.5 °C (decomp) None | Legacy Database |
| cas-name | Mordant Orange 1 None | Legacy Database |
| LogP | 3.414000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 287.23100000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 287.05422038800003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 125.39 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 72.33850000000001 | RDKit |
