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| Name |
Reactive Blue 19 |
EINECS | 219-949-9 |
| CAS No. | 2580-78-1 | Density | 1.74[at 20℃] |
| 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 |
|
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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In water for 3h; Heating; pH 11; |
- 2580-78-1
reactive blue 19
| Conditions | Yield |
|---|---|
| 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; |
- 2580-78-1
reactive blue 19
| Conditions | Yield |
|---|---|
| In water at 60℃; for 0.5h; |
- 2580-78-1
reactive blue 19
- 1393707-17-9
C34H32N2O13S2
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 55 - 60℃; pH=8.5-9; |
- 2580-78-1
reactive blue 19
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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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