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40847-64-1

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Basic Information
CAS No.: 40847-64-1
Name: sodium 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulphonyl]-4-methylphenyl]amino]-9,10-dioxoanthracene-2-sulphonate
Molecular Structure:
Molecular Structure of 40847-64-1 (sodium 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulphonyl]-4-methylphenyl]amino]-9,10-dioxoanthracene-2-sulphonate)
Formula: C23H21 N3 O8 S2 . Na
Molecular Weight: 553.57
Synonyms: 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-4-[3-[(2-hydroxyethyl)sulfamoyl]-p-toluidino]-9,10-dioxo-,sodium salt (7CI); 2-Anthracenesulfonic acid,1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4-methylphenyl]amino]-9,10-dioxo-,monosodium salt (9CI)
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: An eye irritant. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
PSA: 212.55000
LogP: 4.47760
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Chemistry

Empirical Formula of Modr Brilantni Alizarinova BRL (CAS NO.40847-64-1): C23H20N3NaO8S2
Molecular Weight: 553.54 
EINECS: 255-107-7
Structure of Modr Brilantni Alizarinova BRL (CAS NO.40847-64-1):
                        
IUPAC Name: Sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4-methylanilino]-9,10-dioxoanthracene-2-sulfonate
Canonical SMILES: CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)NCCO.[Na+]
InChI: InChI=1S/C23H21N3O8S2.Na/c1-12-6-7-13(10-17(12)35(30,31)25-8-9-27)26-16-11-18(36(32,33)34)21(24)20-19(16)22(28)14-4-2-3-5-15(14)23(20)29;/h2-7,10-11,25-27H,8-9,24H2,1H3,(H,32,33,34);/q;+1/p-1
InChIKey: KGFQWQPBSFDQQE-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

eye-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,241.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

An eye irritant. When heated to decomposition Modr Brilantni Alizarinova BRL (CAS NO.40847-64-1) emits very toxic fumes of NOx, Na2O, and SOx.

Specification

 Modr Brilantni Alizarinova BRL , its cas register number is 40847-64-1. It also can be called Sodium 1-amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulphonyl)-4-methylphenyl)amino)-9,10-dioxoanthracene-2-sulphonate ; 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulfonyl)-4-methylphenyl)amino)-9,10-dioxo-, sodium salt (1:1) ; and 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulfonyl)-4-methylphenyl)amino)-9,10-dioxo-, monosodium salt .