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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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 3.414000000000001 RDKit
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

Molar

Property Value Source
Molar Refractivity 72.33850000000001 RDKit

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