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Reactive Blue 19

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Name

Reactive Blue 19

EINECS 219-949-9
CAS No. 2580-78-1 Density N/A
PSA 241.27000 LogP 5.10450
Solubility Soluble in water Melting Point N/A
Formula C22H16N2Na2O11S3 Boiling Point N/A
Molecular Weight 626.553 Flash Point N/A
Transport Information N/A Appearance dark blue crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2580-78-1 (2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-,sodium salt (1:2)) Hazard Symbols N/A
Synonyms

2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[m-[(2-hydroxyethyl)sulfonyl]anilino]-9,10-dioxo-,hydrogen sulfate (ester), disodium salt (8CI);CelmazolBrilliant Blue R;Diamira Brilliant Blue R-KN;Drimarene Blue CL-BR;EverzolBrilliant Blue R;Intracon Brilliant Blue VS-RW;KN-R;Ostazin Brilliant Blue VR;Reactive Blue R;Remazol Blue R;Remazol Brilliant BlueR-A;Remazol Brilliant Blue R-KN Liq 40;Sumifix Brilliant Blue R;Sumifix Brilliant Blue R(B);

 

Reactive Blue 19 Synthetic route

2580-78-1

reactive blue 19

13734-28-6

Boc-Lys-OH

638989-54-5

1-amino-4-((3-((2-(((5S)-5-((1,1-dimethylethoxy)carbonylamino)-5-carboxypentyl)amino)ethyl)sulfonyl)phenyl)amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid sodium salt

Conditions
ConditionsYield
With sodium hydroxide In water at 90℃; for 6h; pH=4.5;71%
2580-78-1

reactive blue 19

15225-09-9

Reactive blue 19 alcohol

Conditions
ConditionsYield
In water for 3h; Heating; pH 11;
2580-78-1

reactive blue 19

Reactive Blue 19 vinyl sulfone

Conditions
ConditionsYield
In water for 1h; Ambient temperature; pH 11;
With sodium hydroxide In water at 55 - 60℃; pH=8.5 - 9;
With fatty alcohol-polyoxyethylene ether In aq. buffer at 70℃; for 0.0833333h; pH=10; Kinetics; Reagent/catalyst; Temperature; Concentration;
partially deacetylated chitosan

partially deacetylated chitosan

2580-78-1

reactive blue 19

Remazol Brilliant Blue R-labeled chitosan

Remazol Brilliant Blue R-labeled chitosan

Conditions
ConditionsYield
In water at 60℃; for 0.5h;
2580-78-1

reactive blue 19

1393707-17-9

C34H32N2O13S2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: water; sodium hydroxide / 55 - 60 °C / pH 8.5-9
2: sodium carbonate / 1,2-dichloro-benzene; dimethyl sulfoxide / 10 h / 170 - 175 °C
View Scheme
2580-78-1

reactive blue 19

C27H16N2O14S3(4-)*4Na(1+)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: water; sodium hydroxide / 55 - 60 °C / pH 8.5-9
2.1: sodium carbonate / 1,2-dichloro-benzene; dimethyl sulfoxide / 10 h / 170 - 175 °C
3.1: sulfuric acid / 4 h / 20 - 90 °C
3.2: 2 h / 65 - 70 °C / pH 9
View Scheme
2580-78-1

reactive blue 19

C34H23N2O14S3(3-)*3Na(1+)

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: water; sodium hydroxide / 55 - 60 °C / pH 8.5-9
2.1: sodium carbonate / 1,2-dichloro-benzene; dimethyl sulfoxide / 10 h / 170 - 175 °C
3.1: sulfuric acid / 4 h / 20 - 90 °C
3.2: 2 h / 65 - 70 °C / pH 9
4.1: sodium hydroxide / water / 9.5 h / 75 - 80 °C / pH 9
View Scheme
2580-78-1

reactive blue 19

uniblue A

Conditions
ConditionsYield
With water; sodium hydroxide at 55 - 60℃; pH=8.5-9;
2580-78-1

reactive blue 19

C34H32N2O16S3

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / water / 55 - 60 °C / pH 8.5 - 9
2: sodium carbonate / 1,2-dichloro-benzene; dimethyl sulfoxide / 10 h / 170 - 175 °C
3: sulfuric acid; sulfur trioxide / 4.5 h / 20 - 90 °C
View Scheme
2580-78-1

reactive blue 19

C34H23N2O14S3(3-)*3Na(1+)

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: sodium hydroxide / water / 55 - 60 °C / pH 8.5 - 9
2.1: sodium carbonate / 1,2-dichloro-benzene; dimethyl sulfoxide / 10 h / 170 - 175 °C
3.1: sulfuric acid; sulfur trioxide / 4.5 h / 20 - 90 °C
4.1: water; sulfuric acid / 2 h / 65 - 70 °C
4.2: pH 9
5.1: water / 9.5 h / 75 - 80 °C / pH 9
5.2: pH 9
View Scheme

Reactive Blue 19 Specification

The IUPAC name of C.I. Reactive Blue 19 is disodium 1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate. With the CAS registry number 2580-78-1, it is also named as Remazol brilliant blue R; 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(m-((2-hydroxyethyl)sulfonyl)anilino)-9,10-dioxo-, hydrogen sulfate (ester), disodium salt. The classification codes are coloring agents and tumor data. This chemical is a compound with the appearance of dark blue crystalline powder which is soluble in water. It is probably combustible, so it should be stored in a cool, dry place and kept container closed when not in use. When heated to decomposition  C.I. Reactive Blue 19 emits very toxic fumes of sodium oxide, nitrogen oxides and sulfur oxides. People should avoid contact with skin and eyes. In addition, This chemical is used for dyeing and printing cotton, linen, rayon and other fibers.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.97; (4)ACD/LogD (pH 7.4): -3.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Rotatable Bond Count: 6; (13)Tautomer Count: 12; (14)Exact Mass: 625.971161; (15)MonoIsotopic Mass: 625.971161; (16)Topological Polar Surface Area: 255; (17)Heavy Atom Count: 40; (18)Complexity: 1210.

Preparation of C.I. Reactive Blue 19: It can be obtained by bromamine acid and m-(2-hydroxyethyl sulfonyl) aniline. Firstly, condensating m-(2-hydroxyethyl sulfonyl) aniline and bromamine acid, and then esterificated in the concentrated sulfuric acid. After salting, filtration and drying, we can get the product.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S([O-])(=O)=O)N;
2. InChI: InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2.

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