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Acid Blue 113 (Technical Grade)

CAT: 0572-TRC-A189863-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A189863-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3351-05-1
Synonyms
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt (9CI); C.I. Acid Blue 113 (7CI); C.I. Acid Blue 113, disodium salt (8CI); Acid Blue 5R; Acid Blue S 5R; Acid Blue for Leather; Acid Cyanine 5R; Acid Cyanine Blue 5R; Acid Dark Blue 2G; Acid Dark Blue for Polyamide; Acid Fast Blue 5R; Acid Fast Blue N 5R; Acid Leather Blue 5RN; Acid Leather Blue RN; Acid Milling Navy Blue 2RNX; Acid Milling Navy Blue S 5R; Acid Navy Blue 2BN; Acid Navy Blue 2RHX; Acid Navy Blue 2RNX; Acid Navy Blue 5R; Alphanol Blue 5RN; Amacid Fast Navy 5R; Ambinyl Cyanine M 5R; Anadurm Navy M-5RX; Apollo Acid Cyanine 5R; Atul Acid Cyanine Blue 5R; Azo Cyanine Blue 5R Extra; Benzyl Fast Blue 5R; Best Acid Milling Cyanine 5R; C.I. 26360; Cirene Blue 5RA; Cloth Blue 5R; Cloth Fast Blue R; Cloth Fast Blue RN; Cloth Fast Blue S 5R; Colacid Fast Blue 5R; Colocid Fast Navy Blue 5R; Colorosacid Blue 113; Conacid Blue AAC; Concorde Acid Cyanine M 5R; Concorde Leather Blue 5R; Coomassie Navy Blue 2RN; Covalene Navy 2R; Covanyl Navy 2R; Cyanine 5R; Cyanine Navy Blue 2RNX; Cyanine Navy Blue 5R; Daedo Acid Navy Blue BNC; Dermacid Blue LN; Dinacid Navy Blue 2RNS; Dycosweak Acid Navy Blue 5R; Eniacid Blue 5R; Eniacid Cloth Blue 5R; Erio Fast Blue S 5R; Erionyl Blue S 5R; Erionyl Navy A-R; Erionyl Navy Blue 2RN; Erionyl Navy R; Eriosin Fast Blue S 5R; Everacid Cyanine N 5R; Everacid Milling Cyanine 5R; Everacid Navy 2RN; Fabracid Navy Blue M-SR; Fast Blue 5R; Fenazo Blue S 5R; Folan Fast Navy Blue 5R; Follone Blue 5R; Formo Blue 5R; Hispacid Cloth Blue 5RF; Indacid Milling Navy Blue S 5R; Intrazone Fast Blue 5RS; Java Fast Blue 5R; Kayanol Cyanine 5R; Kayanol Milling Cyanine 5R; Kemacid Blue 2RNX; Kenamide Navy K 2R; Kenanthrol Navy 2R; Leather Cadet Blue RB; Lecotan Navy Blue 2R; Levanol Fast Cyanine 5RN; Libacid Navy Blue L 2RNX; Midlon Blue 5RG; Milling Fast Blue 5R; Milling Navy Blue 2RNX; Monacid Navy Blue 2RNX; Multicuer Blue 5R; Nanhacid Navy N-RBL; Naphthalene Leather Navy 2RN; Navitan Fast Blue S 5R; Navy Blue 5R; Navy N-BL; Navy N-RBL; Neutral Blue 5R; Neutral Fast Blue 5R; Nylomine Acid Navy C 2R; Nylomine Acid Navy P 2R; Nylosan Navy N-BL; Nylosan Navy N-RBL; Nylosan Navy N-RBLA; Nylosan Navy N-RE; Optanol Cyanine 5R extra; Pacid Navy Blue 2RNX; Polan Navy Blue R; Pontacyl Fast Blue 5R; Ranocid Fast Blue S 5R; Rifa Acid Cyanine 5R; Rifa Acid Navy Blue BN; Rifa Leather Navy Blue 2RN; Rybanyl Navy NL 5R; Sella Fast Navy C-R; Simacid Navy Blue 24914; Sulfocyanine Blue 5R; Sulfon Blue 5R; Sulfone Cyanin 5R; Sulfonine Blue 5R; Sulphon Cyanine 5RA-CF; Sulphoncin Blue 5R; Sulphoncyanine 5R Extra; Sulphonol Navy 5RX; Suminol Cyanine 5R extra; Suminol Milling Cyanine 5R; Suminol Milling Cyanine 5R Extra; Supranol Fast Cyanin 5R; Supranol Fast Cyanine 5R; Supranol Fast Cyanine 5R Extra; Supranol Fast Cyanine 5RT Extra; Supranol Navy R; Telon Fast Navy Blue R; Telon Navy AMF; Telon Supra Navy Blue RN; Tertracid Fast Navy Blue CR; Tracid Cyanine 5R; Triacid Milling Navy Blue 5RN; Triacid Sulfon Blue 5R; Vicoacid Blue 113; Victacid Blue 5R; Vondamol Fast Blue 5R; Vopsider Blue A 5RL; Vopsider Blue N-A 5RL; Wool Fast Blue 5R; Wool Fast Navy Blue 5R; Yamada Acid Cyanine 5R
Hazard Statement
Causes serious eye irritation
Smiles
O=S(C1=CC=CC(/N=N/C2=C3C=CC=CC3=C(/N=N/C4=C(C=CC=C5S(=O)(O[Na])=O)C5=C(NC6=CC=CC=C6)C=C4)C=C2)=C1)(O[Na])=O
Molecular Formula
C32H21N5Na2O6S2
Molecular Weight
681.65
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Acid Blue 113
CAS Number3351-05-1
PubChem CID18776
IUPAC Namedisodium;8-anilino-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
Molecular FormulaC32H21N5Na2O6S2
Molecular Weight681.7
Topological Polar Surface Area193
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity1230
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[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);;/q;2*+1/p-2
InChIKey
XPRMZBUQQMPKCR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Acid Blue 113
CAS: 3351-05-1
CID: 18776
Formula: C32H21N5Na2O6S2
MW: 681.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight681.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass681.07286432
Monoisotopic Mass681.07286432
Topological Polar Surface Area193 Ų
Heavy Atom Count47
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes