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Multicuer Blue 5R
CAS: 3351-05-1 | C32H23N5Na2O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3351-05-1
Molecular Formula:
C32H23N5Na2O6S2
Molecular Weight:
683.6790000000002 g/mol
Names and Synonyms:
Multicuer Blue 5R
Synonym
Acid Blue 113
Synonym
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
Synonym
C.I. Acid Blue 113
Synonym
C.I. Acid Blue 113, disodium salt
Synonym
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
Synonym
C.I. 26360
Synonym
Acid Fast Blue 5R
Synonym
Acid Leather Blue 5RN
Synonym
Acid Leather Blue RN
Synonym
Acid Milling Navy Blue 2RNX
Synonym
Alphanol Blue 5RN
Synonym
Azo Cyanine Blue 5R Extra
Synonym
Benzyl Fast Blue 5R
Synonym
Cirene Blue 5RA
Synonym
Cloth Blue 5R
Synonym
Cloth Fast Blue R
Synonym
Cloth Fast Blue S 5R
Synonym
Cloth Fast Blue RN
Synonym
Colacid Fast Blue 5R
Synonym
Coomassie Navy Blue 2RN
Synonym
Cyanine Navy Blue 2RNX
Synonym
Cyanine Navy Blue 5R
Synonym
Eniacid Cloth Blue 5R
Synonym
Erio Fast Blue S 5R
Synonym
Erionyl Blue S 5R
Synonym
Eriosin Fast Blue S 5R
Synonym
Fast Blue 5R
Synonym
Fenazo Blue S 5R
Synonym
Folan Fast Navy Blue 5R
Synonym
Hispacid Cloth Blue 5RF
Synonym
Java Fast Blue 5R
Synonym
Kayanol Cyanine 5R
Synonym
Kayanol Milling Cyanine 5R
Synonym
Milling Fast Blue 5R
Synonym
Naphthalene Leather Navy 2RN
Synonym
Neutral Blue 5R
Synonym
Neutral Fast Blue 5R
Synonym
Nylomine Acid Navy C 2R
Synonym
Nylomine Acid Navy P 2R
Synonym
Optanol Cyanine 5R extra
Synonym
Pontacyl Fast Blue 5R
Synonym
Sulfon Blue 5R
Synonym
Sulfonine Blue 5R
Synonym
Sulphoncin Blue 5R
Synonym
Sulphon Cyanine 5RA-CF
Synonym
Sulphoncyanine 5R Extra
Synonym
Sulphonol Navy 5RX
Synonym
Suminol Cyanine 5R extra
Synonym
Supranol Fast Cyanin 5R
Synonym
Supranol Fast Cyanine 5R Extra
Synonym
Supranol Fast Cyanine 5RT Extra
Synonym
Telon Fast Navy Blue R
Synonym
Tertracid Fast Navy Blue CR
Synonym
Vondamol Fast Blue 5R
Synonym
Wool Fast Blue 5R
Synonym
Wool Fast Navy Blue 5R
Synonym
Yamada Acid Cyanine 5R
Synonym
Suminol Milling Cyanine 5R Extra
Synonym
Acid Blue 113
Synonym
Nylosan Navy N-RE
Synonym
Amacid Fast Navy 5R
Synonym
Levanol Fast Cyanine 5RN
Synonym
Suminol Milling Cyanine 5R
Synonym
Polan Navy Blue R
Synonym
Atul Acid Cyanine Blue 5R
Synonym
Supranol Fast Cyanine 5R
Synonym
Everacid Milling Cyanine 5R
Synonym
Supranol Navy R
Synonym
Erionyl Navy Blue 2RN
Synonym
Nylosan Navy N-RBL
Synonym
Sulfone Cyanin 5R
Synonym
Intrazone Fast Blue 5RS
Synonym
Erionyl Navy R
Synonym
Rifa Acid Cyanine 5R
Synonym
Navitan Fast Blue S 5R
Synonym
Acid Cyanine 5R
Synonym
Acid Cyanine Blue 5R
Synonym
Acid Blue 5R
Synonym
Pacid Navy Blue 2RNX
Synonym
Triacid Sulfon Blue 5R
Synonym
Rifa Acid Navy Blue BN
Synonym
Milling Navy Blue 2RNX
Synonym
Rifa Leather Navy Blue 2RN
Synonym
Simacid Navy Blue 24914
Synonym
Anadurm Navy M-5RX
Synonym
Triacid Milling Navy Blue 5RN
Synonym
Acid Milling Navy Blue S 5R
Synonym
Apollo Acid Cyanine 5R
Synonym
Fabracid Navy Blue M-SR
Synonym
Concorde Acid Cyanine M 5R
Synonym
Acid Blue for Leather
Synonym
Acid Dark Blue for Polyamide
Synonym
Cyanine 5R
Synonym
Daedo Acid Navy Blue BNC
Synonym
Sulfocyanine Blue 5R
Synonym
Ranocid Fast Blue S 5R
Synonym
Ambinyl Cyanine M 5R
Synonym
Dycosweak Acid Navy Blue 5R
Synonym
Erionyl Navy A-R
Synonym
Follone Blue 5R
Synonym
Dinacid Navy Blue 2RNS
Synonym
Formo Blue 5R
Synonym
Conacid Blue AAC
Synonym
Kemacid Blue 2RNX
Synonym
Victacid Blue 5R
Synonym
Covanyl Navy 2R
Synonym
Lecotan Navy Blue 2R
Synonym
Acid Navy Blue 2BN
Synonym
Acid Navy Blue 5R
Synonym
Covalene Navy 2R
Synonym
Dermacid Blue LN
Synonym
Libacid Navy Blue L 2RNX
Synonym
Acid Navy Blue 2RNX
Synonym
Vicoacid Blue 113
Synonym
Everacid Navy 2RN
Synonym
Acid Navy Blue 2RHX
Synonym
Colorosacid Blue 113
Synonym
Indacid Milling Navy Blue S 5R
Synonym
Telon Supra Navy Blue RN
Synonym
Vopsider Blue N-A 5RL
Synonym
Best Acid Milling Cyanine 5R
Synonym
Eniacid Blue 5R
Synonym
Rybanyl Navy NL 5R
Synonym
Colocid Fast Navy Blue 5R
Synonym
Concorde Leather Blue 5R
Synonym
Acid Fast Blue N 5R
Synonym
Sella Fast Navy C-R
Synonym
Monacid Navy Blue 2RNX
Synonym
Nylosan Navy N-RBLA
Synonym
Vopsider Blue A 5RL
Synonym
Tracid Cyanine 5R
Synonym
Kenamide Navy K 2R
Synonym
Midlon Blue 5RG
Synonym
Acid Blue S 5R
Synonym
Kenanthrol Navy 2R
Synonym
Telon Navy AMF
Synonym
Nanhacid Navy N-RBL
Synonym
Everacid Cyanine N 5R
Synonym
Acid Dark Blue 2G
Synonym
Navy Blue 5R
Synonym
Nylosan Navy N-BL
Synonym
Navy N-BL
Synonym
Navy N-RBL
Synonym
Leather Cadet Blue RB
Synonym
Identifiers:
SMILES:
O=S(=O)(O)c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c3ccccc23)c1.[Na].[Na]
InChI:
InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;
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 | 683.68 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(N=NC=3C=CC(NC=4C=CC=CC4)=C5C3C=CC=C5S(=O)(=O)O)C=6C=CC=CC26)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);; None | Legacy Database |
| cas-inchi-key | InChIKey=YNJBUFOIFTVKCZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acid Blue 113 None | Legacy Database |
| LogP | 8.299200000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 683.6790000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 683.0885140159999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 47 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 170.20999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 183.55189999999973 | RDKit |