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| CAS No.: | 4499-01-8 |
|---|---|
| Name: | disodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate |
| Molecular Structure: | |
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| Formula: | C23H14 Cl2 N6 O8 S2 . 2 Na |
| Molecular Weight: | 681.41 |
| Synonyms: | 2-Anthracenesulfonicacid,1-amino-4-[3-[(4,6-dichloro-s-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dihydro-9,10-dioxo-,disodium salt (7CI,8CI);2-Anthracenesulfonic acid,1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,disodium salt (9CI);Azure KX;Procion Brilliant Blue M-RS;Reactive BrilliantBlue KKh;Reactive Brilliant Sky Blue KKh; |
| EINECS: | 224-797-1 |
| Safety: | Mildly toxic by ingestion. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, Na2O, and SOx. |
| PSA: | 254.05000 |
| LogP: | 5.72020 |
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Chemistry
Molecular Structure of 2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt (CAS NO.4499-01-8):
IUPAC Name: disodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-
2-sulfonate
Empirical Formula: C23H12Cl2N6Na2O8S2
Molecular Weight: 681.3923
Synonyms of 2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt (CAS NO.4499-01-8):
disodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate ; 2-Anthracenesulfonic acid, 1-amino-4-3-(4,6-dichloro-1,3,5-triazin-2-yl)amino-4-sulfophenylamino-9,10-dihydro-9,10-dioxo-, disodium salt ; 2-(4,6-dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1 10-dihydro-9,10-dioxo-o]-4-sulfophenyl]amino]- disodium salt ; blue kkh ; brilliant blue kkh ; reactive sky ; 1-Amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid disodium salt ; 1-Amino-4-[3-(4,6-dichloro-1,3,5-triazin-2-ylamino)-4-sulfoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid disodium salt
H bond acceptors: 14
H bond donors: 6
Freely Rotating Bonds: 6
Polar Surface Area: 208.03A2
Toxicity Data With Reference
| 1. | eye-rbt 100 mg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,242. | ||
| 2. | orl-rat LD50:8980 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,242. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, Na2O, and SOx.