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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
Acid Blue 113
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
C.I. Acid Blue 113
C.I. Acid Blue 113, disodium salt
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
C.I. 26360
Acid Fast Blue 5R
Acid Leather Blue 5RN
Acid Leather Blue RN
Acid Milling Navy Blue 2RNX
Alphanol Blue 5RN
Azo Cyanine Blue 5R Extra
Benzyl Fast Blue 5R
Cirene Blue 5RA
Cloth Blue 5R
Cloth Fast Blue R
Cloth Fast Blue S 5R
Cloth Fast Blue RN
Colacid Fast Blue 5R
Coomassie Navy Blue 2RN
Cyanine Navy Blue 2RNX
Cyanine Navy Blue 5R
Eniacid Cloth Blue 5R
Erio Fast Blue S 5R
Erionyl Blue S 5R
Eriosin Fast Blue S 5R
Fast Blue 5R
Fenazo Blue S 5R
Folan Fast Navy Blue 5R
Hispacid Cloth Blue 5RF
Java Fast Blue 5R
Kayanol Cyanine 5R
Kayanol Milling Cyanine 5R
Milling Fast Blue 5R
Naphthalene Leather Navy 2RN
Neutral Blue 5R
Neutral Fast Blue 5R
Nylomine Acid Navy C 2R
Nylomine Acid Navy P 2R
Optanol Cyanine 5R extra
Pontacyl Fast Blue 5R
Sulfon Blue 5R
Sulfonine Blue 5R
Sulphoncin Blue 5R
Sulphon Cyanine 5RA-CF
Sulphoncyanine 5R Extra
Sulphonol Navy 5RX
Suminol Cyanine 5R extra
Supranol Fast Cyanin 5R
Supranol Fast Cyanine 5R Extra
Supranol Fast Cyanine 5RT Extra
Telon Fast Navy Blue R
Tertracid Fast Navy Blue CR
Vondamol Fast Blue 5R
Wool Fast Blue 5R
Wool Fast Navy Blue 5R
Yamada Acid Cyanine 5R
Suminol Milling Cyanine 5R Extra
Acid Blue 113
Nylosan Navy N-RE
Amacid Fast Navy 5R
Levanol Fast Cyanine 5RN
Suminol Milling Cyanine 5R
Polan Navy Blue R
Atul Acid Cyanine Blue 5R
Supranol Fast Cyanine 5R
Everacid Milling Cyanine 5R
Supranol Navy R
Erionyl Navy Blue 2RN
Nylosan Navy N-RBL
Sulfone Cyanin 5R
Intrazone Fast Blue 5RS
Erionyl Navy R
Rifa Acid Cyanine 5R
Navitan Fast Blue S 5R
Acid Cyanine 5R
Acid Cyanine Blue 5R
Acid Blue 5R
Pacid Navy Blue 2RNX
Triacid Sulfon Blue 5R
Rifa Acid Navy Blue BN
Milling Navy Blue 2RNX
Rifa Leather Navy Blue 2RN
Simacid Navy Blue 24914
Anadurm Navy M-5RX
Triacid Milling Navy Blue 5RN
Acid Milling Navy Blue S 5R
Apollo Acid Cyanine 5R
Fabracid Navy Blue M-SR
Concorde Acid Cyanine M 5R
Acid Blue for Leather
Acid Dark Blue for Polyamide
Cyanine 5R
Daedo Acid Navy Blue BNC
Sulfocyanine Blue 5R
Ranocid Fast Blue S 5R
Ambinyl Cyanine M 5R
Dycosweak Acid Navy Blue 5R
Erionyl Navy A-R
Follone Blue 5R
Dinacid Navy Blue 2RNS
Formo Blue 5R
Conacid Blue AAC
Kemacid Blue 2RNX
Victacid Blue 5R
Covanyl Navy 2R
Lecotan Navy Blue 2R
Acid Navy Blue 2BN
Acid Navy Blue 5R
Covalene Navy 2R
Dermacid Blue LN
Libacid Navy Blue L 2RNX
Acid Navy Blue 2RNX
Vicoacid Blue 113
Everacid Navy 2RN
Acid Navy Blue 2RHX
Colorosacid Blue 113
Indacid Milling Navy Blue S 5R
Telon Supra Navy Blue RN
Vopsider Blue N-A 5RL
Best Acid Milling Cyanine 5R
Eniacid Blue 5R
Rybanyl Navy NL 5R
Colocid Fast Navy Blue 5R
Concorde Leather Blue 5R
Acid Fast Blue N 5R
Sella Fast Navy C-R
Monacid Navy Blue 2RNX
Nylosan Navy N-RBLA
Vopsider Blue A 5RL
Tracid Cyanine 5R
Kenamide Navy K 2R
Midlon Blue 5RG
Acid Blue S 5R
Kenanthrol Navy 2R
Telon Navy AMF
Nanhacid Navy N-RBL
Everacid Cyanine N 5R
Acid Dark Blue 2G
Navy Blue 5R
Nylosan Navy N-BL
Navy N-BL
Navy N-RBL
Leather Cadet Blue RB
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.299200000000004 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 183.55189999999973 | RDKit |
