Cas no 3841-15-4 (Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3))
3841-15-4 structure
Product Name:Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3)
CAS No:3841-15-4
MF:C37H22N7Na3O10S2
MW:857.710797786713
CID:309129
PubChem ID:19693
Update Time:2025-04-19
Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3)
- Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthal
- trisodium (3Z)-3-(2-{4-[(E)-{4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2(1H)-ylidene)hydrazinyl]naphthalen-1-yl}diazenyl]-6-sulfonatonaphthalen-1-yl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate
- Trisodium 5-((4-((4-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)salicylate
- 3841-15-4
- EINECS 223-334-0
- Direct Blue 148, trisodium salt
- NS00044896
- C.I. DIRECT BLUE 148, TRISODIUM SALT
-
- Inchi: 1S/C37H25N7O10S2.3Na/c38-20-5-8-23-19(15-20)16-34(56(52,53)54)35(36(23)46)44-43-30-11-10-29(24-3-1-2-4-25(24)30)41-42-32-13-12-31(26-9-7-22(18-27(26)32)55(49,50)51)40-39-21-6-14-33(45)28(17-21)37(47)48;;;/h1-18,45-46H,38H2,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b40-39+,42-41+,44-43+;;;
- InChI Key: PTELSJWAVIWPMR-CLSIINNZSA-K
- SMILES: S(C1C=C2C=C(C=CC2=C(C=1/N=N/C1=CC=C(C2C=CC=CC=21)/N=N/C1=CC=C(C2=CC=C(C=C21)S(=O)(=O)[O-])/N=N/C1C=CC(=C(C(=O)[O-])C=1)O)O)N)(=O)(=O)[O-].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 857.05656
- Monoisotopic Mass: 857.056265
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 59
- Rotatable Bond Count: 6
- Complexity: 1970
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 305
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 288.19
Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
3841-15-4 (Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3)) Related Products
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