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6104-59-2

Basic Information
CAS No.: 6104-59-2
Name: Acid Blue 83
Molecular Structure:
Molecular Structure of 6104-59-2 (Acid Blue 83)
Formula: C45H44N3NaO7S2
Molecular Weight: 825.97
Synonyms: Benzenemethanaminium,N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (1:1);Benzenemethanaminium,N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, monosodium salt (9CI);C.I. Acid Blue 83 (6CI,7CI);C.I. Acid Blue83, monosodium salt (8CI);Acid Blue 6B;Acid Blue 6B 4065;Coomassie brilliant blue R;AcidBrilliant Blue;Acid Brilliant Blue 6B4065;AcidBrilliant Cyanine 6B;Acidine Sky Blue R;Amacid Brilliant Cyanine 6B;Benzyl Cyanine 6B;Brilliant Acid Blue 6B;Brilliant Acid Cyanine 6B;Brilliant Blue R;Brilliant Blue R 250;Brilliant Indocyanine 6B;C.I. 42660;CBB-R250;Colocid Brilliant Blue 6B;Conacid Blue MC;Concorde Acid Cyanine L 6B;Coomassie Blue R;Coomassie Brilliant Blue R 250;Coriacide Blue2R;Dycosweak Acid Brilliant Blue 6B;Impero Azure 6B;Kenanthrol Blue BT;Lerui Acid Brilliant Blue 6B;Optanol Cyanine 6B;Polycor Blue R;Sapphire EMB;Serva Blue R 250;SumitomoBrilliant Indocyanine 6B;Supranol Cyanine 6B;Vicoacid Blue 83;Weak Acid Brilliant Blue 6B;Xylene BrilliantCyanine 6B;
EINECS: 228-060-5
Melting Point: 174-180 °C
Flash Point: 14 °C
Solubility: Soluble in water.
Appearance: Dark bordeaux to dark purplish-brown cryst. powder
Hazard Symbols: FlammableF, ToxicT, HarmfulXn
Risk Codes: 11-23/24/25-36/38-39/23/24/25-36/37/38-20/21/22
Safety: 22-24/25-45-36/37/39-26-36
PSA: 158.67000
LogP: 10.49970
Synthetic route
6104-59-2

N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminiummonosodium salt

A

617-97-0

m-toluenesulfonic acid

B

N-ethyl-4-4-{[4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl}aniline

Conditions
ConditionsYield
With 2,2'-azinobis(3-ethylbenzthiazolinesulfonate); laccase from blumea malcolmii hook In aq. acetate buffer at 30℃; pH=4.8; Enzymatic reaction;
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  • Acid blue 83 (C.I. 42660)

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    Acid blue 83 (C.I. 42660)

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    Acid Blue 83

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    Product name:Acid Blue 83 Chemical formula:C45H44N3NaO7S2 Molecular Weight:825.97 C. I. No.:42660

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  • Acmec Brilliant Blue R250 250g

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  • CooMassie Brilliant Blue R-250 [for Electrophoresis]

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    CooMassie Brilliant Blue R-250 [for Electrophoresis]

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Chemistry

Structure of Coomassie brilliant blue R (CAS NO.6104-59-2):

Empirical Formula: C45H44N3NaO7S2
Molecular Weight: 825.9665 
EINECS: 228-060-5
Flashing point: 14 °C
Storage tempreture: Store at RT.
Appearance: Dark bordeaux to dark purplish-brown cryst. powder
IUPAC Name: Sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl] azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]
InChI: InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1
InChIKey: NKLPQNGYXWVELD-UHFFFAOYSA-M
Product Category of Coomassie brilliant blue R (CAS NO.6104-59-2): Dyes and Pigments;Organics;Biochemistry;Reagents for Electrophoresis

Uses

 Coomassie brilliant blue R (CAS NO.6104-59-2) is used to detect the protein bands after electrophoresis. It's as 5-10 times sensitive as Naphthol Blue Black B and (Bromophenol(can detect protein on the gel matrix at 0.5 ug/cm2).

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of Na2O, NOx, and SOx.
Hazard Codes:  FlammableF,ToxicT,HarmfulXn
Risk Statements: 11-23/24/25-39-36/37/38-20/21/22 
R11: Highly flammable. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R39: Danger of very serious irreversible effects.
Safety Statements: 22-24/25-45-36/37/39-26 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Specification

 Coomassie brilliant blue R , its cas register number is 6104-59-2. It also can be called Acid Blue 83 ; C.I. 42660 ; and N-[4-[[4-[(4-Ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium inner salt monosodium salt .