Cas no 6637-87-2 (2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2))
6637-87-2 structure
Product Name:2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2)
CAS No:6637-87-2
MF:C28H15N9Na2O16S2
MW:843.578944444656
CID:512731
PubChem ID:16131135
Update Time:2025-04-19
2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2)
- 2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]ph
- C.I. Acid Brown 75
- 2,7-Naphthalenedisulfonic acid, 4-(2-(2,4-dihydroxy-5-(2-(2-hydroxy-3,5-dinitrophenyl)diazenyl)-3-(2-(4-nitrophenyl)diazenyl)phenyl)diazenyl)-5-hydroxy-, sodium salt (1:2)
- disodium 4-[2,4-dihydroxy-5-(2-hydroxy-3,5-dinitro-phenyl)azo-3-(4-nitrophenyl)azo-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate
- EINECS 229-637-4
- Disodium 4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphon ate
- 2,7-Naphthalenedisulfonic acid, 4-((2,4-dihydroxy-5-((2-hydroxy-3,5-dinitrophenyl)azo)-3-((4-nitrophenyl)azo)phenyl)azo)-5-hydroxy-, disodium salt
- 8011-86-7
- Disodium 4-((2,4-dihydroxy-5-((2-hydroxy-3,5-dinitrophenyl)azo)-3-((4-nitrophenyl)azo)phenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate
- 6637-87-2
- NSC 47740
- Disodium 4-2,4-dihydroxy-5-(2-hydroxy-3,5-dinitrophenyl)azo-3-(4-nitrophenyl)azophenylazo-5-hydroxynaphthalene-2,7-disulphon ate
- 4-((2,4-Dihydroxy-3-((4-nitrophenyl)azo)-5-((3,5-dinitro-2-hydroxyphenyl)azo)phenyl)azo)-5-hydroxy-2,7-naphthalenedisulfonic acid, disodium salt
- W-110171
- DTXSID30889567
- Acid Brown 75
- disodium;4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
- NS00047205
-
- Inchi: 1S/C28H17N9O16S2.2Na/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b32-30+,33-31+,34-29+;;
- InChI Key: SKCQDFLBBMGDPT-YNVLCFGRSA-L
- SMILES: S(C1=CC(=C2C(=CC(=CC2=C1)S(=O)(=O)[O-])O)/N=N/C1C=C(C(=C(C=1O)/N=N/C1C=CC(=CC=1)[N+](=O)[O-])O)/N=N/C1C=C(C=C(C=1O)[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)[O-].[Na+].[Na+]
Computed Properties
- Exact Mass: 842.98755
- Monoisotopic Mass: 822.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 57
- Rotatable Bond Count: 11
- Complexity: 1720
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 418A^2
Experimental Properties
- PSA: 398.9
2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2) Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
6637-87-2 (2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-,sodium salt (1:2)) Related Products
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