The Molecular Structure of 2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt (CAS NO.73816-74-7):
Molecular Formula: C28H21ClN7Na3O10S3
Molecular Weight: 816.124550 g/mol
Nominal Mass: 815 Da
Average Mass: 816.1245 Da
Monoisotopic Mass: 814.989363 Da
Classification Code: Skin / Eye Irritant
InChI
InChI=1/C28H24ClN7O10S3.3Na/c1-3-36(17-7-5-4-6-8-17)28-32-26(29)31-27(33-28)30-20-14-18(47(38,39)40)12-16-13-22(49(44,45)46)24(25(37)23(16)20)35-34-19-10-9-15(2)11-21(19)48(41,42)43;;;/h4-14,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;
Smiles
c12c(cc(S(=O)(=O)[O-])c(c2O)\N=N\c2c(cc(C)cc2)S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc1Nc1nc(N(c2ccccc2)CC)nc(n1)Cl.[Na+].[Na+].[Na+]
The IUPAC of 2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt (CAS NO.73816-74-7) is trisodium (3Z)-5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate .
1. | eye-rbt 20 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,234. | ||
2. | orl-rat LD50:6730 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,234. |
Mildly toxic by ingestion. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, Na2O, and SOx.
2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt (CAS NO.73816-74-7) is also called as Cerven brilantni ostazinova H-3B ; Cerven brilantni ostazinova H-3B [Czech] ; EINECS 277-616-3 ; Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate .
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