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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
Common Name
Vicoacid Croceine Scarlet MOO
Synonym
Dycosacid Red MOO
Synonym
Triacid Light Croceine MOO
Synonym
Pacid Crocein Scarlet MOO
Synonym
Acid Crocein Scarlet MOO
Synonym
Red R for Aluminium
Synonym
Libacid Crocein Scarlet LMOO
Synonym
Acid Scarlet B
Synonym
Brilliant Scarlet R (Chinese)
Synonym
Orient Water Red 3
Synonym
Acid Scarlet GR
Synonym
Atul Crocein Scarlet MOO
Synonym
Fire Red BR 9825
Synonym
Orbacid Croceine MOO
Synonym
Egacid Red MOOL
Synonym
Brilliant Crocein M
Synonym
Croceine Scarlet MOOP
Synonym
Scarlet M Crude
Synonym
C.I. Solvent Red 69
Synonym
Croceine Acid Red
Synonym
Woodstain Scarlet
Synonym
Ext D and C Red No. 13
Synonym
Acid Red 2Zh
Synonym
Wool Fast Scarlet G
Synonym
Wood Stain Scarlet NS
Synonym
Vondacid Light Scarlet MOO
Synonym
Tertracid Brilliant Croceine MOO
Synonym
Scarlet MOO
Synonym
Ponceau PSNR
Synonym
Paper Scarlet WEG
Synonym
Paper Scarlet A extra
Synonym
Paper Scarlet R
Synonym
Oxanal Scarlet A
Synonym
Brilliant Croceine 3BM
Synonym
Brilliant Croceine 3B
Synonym
Brilliant Croceine P
Synonym
Brilliant Croceine M
Synonym
Kiton Scarlet MOO
Synonym
Kiton Fast Scarlet A
Synonym
Java Brilliant Scarlet MOO
Synonym
Hispacid Scarlet M
Synonym
Hidacid Brilliant Crocein Scarlet
Synonym
Fenazo Red XG
Synonym
Eriosin Red GR
Synonym
Erionyl Red E-GR
Synonym
Eniacid Brilliant Scarlet
Synonym
Curol Brilliant Red G
Synonym
Crocein Scarlet MOO
Synonym
Crocein Scarlet N
Synonym
Croceine Scarlet SS
Synonym
Croceine Scarlet MOON
Synonym
Croceine Scarlet 3B
Synonym
Croceine Scarlet M
Synonym
Croceine Brilliant Scarlet 3BS
Synonym
Croceine Brilliant Scarlet 3BC
Synonym
Calcocid Scarlet MOON
Synonym
Brilliant Scarlet LC
Synonym
Brilliant Scarlet R
Synonym
Brilliant Red EMBL
Synonym
Brilliant Red 2EMBL
Synonym
Brilliant Croceine SWW
Synonym
Brilliant Croceine Scarlet N
Synonym
Brilliant Croceine Scarlet M
Synonym
Brilliant Croceine MOOL
Synonym
Brilliant Croceine MOO
Synonym
Brilliant Croceine MO
Synonym
Brilliant Croceine LBH
Synonym
Brilliant Croceine 3BA-CF
Synonym
Brilliant Croceine
Synonym
Atul Croceine Scarlet MOO
Synonym
Amacid Brilliant Croceine 3BA
Synonym
Airedale Scarlet MO
Synonym
Acilan Croceine MOO
Synonym
Acid Red 73
Synonym
Acid Leather Red PSNR
Synonym
Acid Fast Red RN
Synonym
Acidal Bright Croceine
Synonym
C.I. 27290
Synonym
Croceine Scarlet MOO
Synonym
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, disodium salt
Synonym
C.I. Acid Red 73
Synonym
C.I. Acid Red 73, disodium salt
Synonym
Water Red 3
Synonym
Acid Red GR
Synonym
Anadurm Scarlet A 3B
Synonym
Indacid Scarlet MOO
Synonym
Ritacid Crocein MOO
Synonym
Dinacid Scarlet MOO
Synonym
Acid Crocein Scarlet
Synonym
Dyacid Scarlet 3B
Synonym
Covalene Scarlet B
Synonym
Acid Scarlet MOO
Synonym
Borunil Red A-R
Synonym
Conacid Red LC
Synonym
Simacid Croceine Scarlet
Synonym
Dinacid Croceine Scarlet MOO
Synonym
Sandolan Brilliant Scarlet E 3BC
Synonym
BTK Croceine Scarlet MOO
Synonym
Acid Red MOO
Synonym
Acid Crocein MOO
Synonym
Rybacel Red AL
Synonym
Aluminium Red R
Synonym
Dycosacid Scarlet GR
Synonym
Acid Brilliant Scarlet GR 4037
Synonym
Kemacid Crocein Scarlet MOO
Synonym
Acid Croceine Scarlet MOO
Synonym
Colocid Crocein Scarlet MOO
Synonym
Croceine Scarlet 070000
Synonym
Acid Brilliant Scarlet GR
Synonym
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:2)
Synonym
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 5.108000000000005 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 137.98599999999988 | RDKit |