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Acid Red 73
CAS: 5413-75-2 | C22H16N4Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5413-75-2
Molecular Formula:
C22H16N4Na2O7S2
Molecular Weight:
558.5050000000002 g/mol
Names and Synonyms:
Acid Red 73
Vicoacid Croceine Scarlet MOO
Dycosacid Red MOO
Triacid Light Croceine MOO
Pacid Crocein Scarlet MOO
Acid Crocein Scarlet MOO
Red R for Aluminium
Libacid Crocein Scarlet LMOO
Acid Scarlet B
Brilliant Scarlet R (Chinese)
Orient Water Red 3
Acid Scarlet GR
Atul Crocein Scarlet MOO
Fire Red BR 9825
Orbacid Croceine MOO
Egacid Red MOOL
Brilliant Crocein M
Croceine Scarlet MOOP
Scarlet M Crude
C.I. Solvent Red 69
Croceine Acid Red
Woodstain Scarlet
Ext D and C Red No. 13
Acid Red 2Zh
Wool Fast Scarlet G
Wood Stain Scarlet NS
Vondacid Light Scarlet MOO
Tertracid Brilliant Croceine MOO
Scarlet MOO
Ponceau PSNR
Paper Scarlet WEG
Paper Scarlet A extra
Paper Scarlet R
Oxanal Scarlet A
Brilliant Croceine 3BM
Brilliant Croceine 3B
Brilliant Croceine P
Brilliant Croceine M
Kiton Scarlet MOO
Kiton Fast Scarlet A
Java Brilliant Scarlet MOO
Hispacid Scarlet M
Hidacid Brilliant Crocein Scarlet
Fenazo Red XG
Eriosin Red GR
Erionyl Red E-GR
Eniacid Brilliant Scarlet
Curol Brilliant Red G
Crocein Scarlet MOO
Crocein Scarlet N
Croceine Scarlet SS
Croceine Scarlet MOON
Croceine Scarlet 3B
Croceine Scarlet M
Croceine Brilliant Scarlet 3BS
Croceine Brilliant Scarlet 3BC
Calcocid Scarlet MOON
Brilliant Scarlet LC
Brilliant Scarlet R
Brilliant Red EMBL
Brilliant Red 2EMBL
Brilliant Croceine SWW
Brilliant Croceine Scarlet N
Brilliant Croceine Scarlet M
Brilliant Croceine MOOL
Brilliant Croceine MOO
Brilliant Croceine MO
Brilliant Croceine LBH
Brilliant Croceine 3BA-CF
Brilliant Croceine
Atul Croceine Scarlet MOO
Amacid Brilliant Croceine 3BA
Airedale Scarlet MO
Acilan Croceine MOO
Acid Red 73
Acid Leather Red PSNR
Acid Fast Red RN
Acidal Bright Croceine
C.I. 27290
Croceine Scarlet MOO
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, disodium salt
C.I. Acid Red 73
C.I. Acid Red 73, disodium salt
Water Red 3
Acid Red GR
Anadurm Scarlet A 3B
Indacid Scarlet MOO
Ritacid Crocein MOO
Dinacid Scarlet MOO
Acid Crocein Scarlet
Dyacid Scarlet 3B
Covalene Scarlet B
Acid Scarlet MOO
Borunil Red A-R
Conacid Red LC
Simacid Croceine Scarlet
Dinacid Croceine Scarlet MOO
Sandolan Brilliant Scarlet E 3BC
BTK Croceine Scarlet MOO
Acid Red MOO
Acid Crocein MOO
Rybacel Red AL
Aluminium Red R
Dycosacid Scarlet GR
Acid Brilliant Scarlet GR 4037
Kemacid Crocein Scarlet MOO
Acid Croceine Scarlet MOO
Colocid Crocein Scarlet MOO
Croceine Scarlet 070000
Acid Brilliant Scarlet GR
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:2)
Identifiers:
SMILES:
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1.[Na].[Na]
InChI:
InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 558.5050000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 558.0255794120001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 37 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 178.41 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.108000000000005 | RDKit |
| molecular_mass | 558.51 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC2=CC=C(O)C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)=C2C(=C1)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);; None | Legacy Database |
| cas-inchi-key | InChIKey=HLTWNOPZIDOIML-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acid Red 73 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 137.98599999999988 | RDKit |
