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Acid Blue 90

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Name

Acid Blue 90

EINECS 228-058-4
CAS No. 6104-58-1 Density >1.0 g/cm3 (20ºC)
PSA 158.67000 LogP 11.19820
Solubility Soluble in water (50 mg/ml) and ethanol (40 mg/ml). Melting Point 100 °C
Formula C47H48N3NaO7S2 Boiling Point N/A
Molecular Weight 854.036 Flash Point 11 °C
Transport Information UN 2924 3/PG 2 Appearance dark blue-violet-brown crystalline powder
Safety 22-24/25-36-26-45-36/37/39-16-9-7 Risk Codes 36/37/38-39/23/24/25-35-23/24/25-11-20/21/22
Molecular Structure Molecular Structure of 6104-58-1 (Acid Blue 90) Hazard Symbols FlammableF, ToxicT, HarmfulXn
Synonyms

C.I. 42655;N-[4-[[4-[(4-Ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium inner salt monosodium salt;

 

Acid Blue 90 Chemical Properties

Empirical Formula: C47H48N3NaO7S2
Molecular Weight: 854.0197 
EINECS: 228-058-4
Flashing point: 11 °C
Melting point: 100 °C
Storage tempreture: Store at RT.
Appearance: Dark blue-violet-brown crystalline powder
Structure of Acid Blue 90 (CAS NO.6104-58-1):
                    

IUPAC Name: Sodium 3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl) methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]
Isomeric SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)/C(=C/3\C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)/C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]
InChI: InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1
InChIKey: RWVGQQGBQSJDQV-UHFFFAOYSA-M
Product Category of Acid Blue 90 (CAS NO.6104-58-1): Dyes and Pigments;Organics;Biochemistry;Reagents for Electrophoresis;Protein Detection;Protein Staining Reagents;Protein Stains and Staining Reagents;Stains and Dyes

Acid Blue 90 Uses

 Acid Blue 90 (CAS NO.6104-58-1) is used for dyeing wool and silk, and has recently been used in scientific experiments to treat spinal injuries in laboratory rats.

Acid Blue 90 Toxicity Data With Reference

 Acid Blue 90 (CAS NO.6104-58-1) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.

Acid Blue 90 Safety Profile

Hazard codes: T: Toxic ,F: Flammable ,Xn: Harmful
Risk Statements:
R11 Highly flammable.
R35 Causes severe burns.
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.
Safety Statements:
S7 Keep container tightly closed.
S9 Keep container in a well-ventilated place.
S16 Keep away from sources of ignition.
S22 Do not breathe dust.
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 Wear suitable protective clothing.
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S24/25: Avoid contact with skin and eyes.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.

Acid Blue 90 Specification

  Acid Blue 90 , its cas register number is 6104-58-1. It also can be called Coomassie ; Coomassie Brilliant Dyes ; C.I. 42655 ; N-[4-[[4-[(4-Ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium inner salt monosodium salt ; and Coomassie Brilliant Blue G-250 . It may be added to undenatured protein in PAGE in place of SDS in a technique called BN-PAGE; both SDS and CBB have the effect of imparting a net negative charge upon the proteins. It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Acid Blue 90 (CAS NO.6104-58-1) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen.

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