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2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt

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Name

2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt

EINECS 224-797-1
CAS No. 4499-01-8 Density N/A
PSA 254.05000 LogP 5.72020
Solubility N/A Melting Point N/A
Formula C23H14 Cl2 N6 O8 S2 . 2 Na Boiling Point N/A
Molecular Weight 681.41 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Mildly toxic by ingestion. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl, NOx, Na2O, and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 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) Hazard Symbols N/A
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;

 

2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt Chemical Properties

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: C23H12Cl2N6Na2O8S
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  

2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt 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.

2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt Consensus Reports

Reported in EPA TSCA Inventory.

2-(4,6-Dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonyl-amino)benzenesulfonic acid, disodium salt 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.

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