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| CAS No.: | 19526-81-9 |
|---|---|
| Name: | disodium 5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate |
| Molecular Structure: | |
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|
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| Formula: | C19H18 N2 O11 S3 . 2 Na |
| Molecular Weight: | 562.52 |
| Synonyms: | 1-Naphthalenesulfonicacid, 5-hydroxy-6-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-,disodium salt (9CI);1-Naphthalenesulfonic acid,5-hydroxy-6-[[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]azo]-, 6-(hydrogensulfate), disodium salt (8CI);C.I. Reactive Red 22;Celmazol Red B;DiamiraRed B;Reactive Red 22;Remazol Red B;Sumifix Red B;Sumifix Red B Special; |
| EINECS: | 243-134-7 |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx. |
| PSA: | 224.37000 |
| LogP: | 3.83420 |
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Chemistry
Molecule structure of Remazol Red B (CAS NO.19526-81-9) :
IUPAC Name: disodium (6E)-5-oxo-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate
Molecular Weight: 560.4857 g/mol
Molecular Formula: C18H14N2Na2O10S3
H-Bond Donor: 1
H-Bond Acceptor: 12
Rotatable Bond Count: 6
Tautomer Count: 3
Exact Mass: 559.960596
MonoIsotopic Mass: 559.960596
Topological Polar Surface Area: 199
Heavy Atom Count: 35
Complexity: 1080
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NN=C2C=CC3=C(C2=O)C=CC=C3S(=O)(=
O)[O-].[Na+].[Na+]
Isomeric SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N/N=C/2\C=CC3=C(C2=O)C=CC=C3S(=
O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C18H16N2O10S3.2Na/c21-18-15-5-2-6-17(32(24,25)26)14(15)7-8-16(18)20-19-12-3-1-4-13(11-12)31(22,23)10-9-30-33(27,28)29;;/h1-8,11,19H,9-10H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-16+;;
InChIKey: GMLARRPAZKPOLV-SDXCCTRSSA-L
EINECS of Remazol Red B (CAS NO.19526-81-9) : 243-134-7
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
Specification
Remazol Red B (CAS NO.19526-81-9) is also called 1-Naphthalenesulfonic acid, 5-hydroxy-6-((2-methoxy-5-((2-
(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, disodium salt ; 1-Naphthalenesulfonic acid, 5-hydroxy-6-((m-((2-hydroxyethyl)sulfonyl)phenyl)azo)-, hydrogen sulfate (ester), disodium salt ; 1-Naphthalenesulfonic acid, 5-hydroxy-6-(2-(2-methoxy-5-((2-
(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:2) ; Disodium 5-hydroxy-6-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonate .