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C.I. Acid Blue 90

C.I. Acid Blue 90 structure

CAS No:
6104-58-1
Formula:
C47H49N3O7S2.Na
Chemical Name:
C.I. Acid Blue 90
Synonyms:
Benzenemethanaminium,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-sulfo-,inner salt,sodium salt (1:1);C.I. Acid Blue 90,monosodium salt;C.I. Acid Blue 90;Benzenemethanaminium,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-sulfo-,hydroxide,inner salt,monosodium salt;Brilliant Indocyanine G;Benzenemethanaminium,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-sulfo-,inner salt,monosodium salt;C.I. 42655;Acid Brilliant Cyanine G;Acidine Sky Blue G;Amacid Brilliant Cyanine G;Benzyl Cyanine G;Brilliant Acid Blue G;Brilliant Acid Blue J;Brilliant Acid Blue GI;Brilliant Acid Cyanine G;Brilliant Blue J;Brilliant Indocyanine GA-CF;Bucacid Brilliant Indocyanine G;Coomassie Brilliant Blue G;Derma Cyanine G;Eriosin Brilliant Cyanine G;Fenazo Blue XXFG;Impero Azure G;Optanol Cyanine G;Polycor Blue G;Silk Fast Cyanine G;Supranol Cyanin G;Xylene Brilliant Cyanine G;Coomassie Brilliant Blue G 250;Acid Blue 90;Coomassie Blue G 250;Water Blue 150;Coomassie Blue G;Sandolan Cyanine N-G;Kayanol Cyanine G;Brilliant Blue G;Supranol Cyanine G;Polar Blue G;Acid Bright Blue G;55965-18-9;167396-16-9;107120-23-0;93907-61-0
Categories:
Dyes and Pigments > Dye

Request for Quotation

Description

dark blue-violet-brown crystalline powder

C.I. Acid Blue 90 Basic Attributes

Molecular Weight：

854.02

Exact Mass：

853.283142

EC Number：

228-058-4

UNII：

M1ZRX790SI

DSSTox ID：

DTXSID7041706

HScode：

32041200

Characteristics

PSA：

158.67000

XLogP3：

11.19820

Appearance：

Dark blue-violet-brown Solid

Density：

>1.0 g/cm3 (20ºC)

Melting Point：

100 °C

Flash Point：

11 °C

Water Solubility：

soluble in water (50 mg/ml) and ethanol (40 mg/ml).

Storage Conditions：

Store at RT.

Safety Information

Hazard category：

Transport codes：

UN29243/PG2

wgk germany：

hazard class code：

36/37/38-39/23/24/25-35-23/24/25-11-20/21/22-36/38-51/53

safety instructions：

22-24/25-36-26-45-36/37/39-16-9-7-36/37-60

Marks：

F,T,Xn,N,C

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H225-H301-H311-H315-H319-H331-H370

GHS Classification：

Not Classified

Drug Information

MeSH：

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

acid blue 90

C.I. Acid Blue 90 Use and Manufacturing

Methods of Manufacturing

Using benzaldehyde, N-benzyl-N-ethyl-m-toluidine, and p-aminophenethyl ether as raw materials, first combine benzaldehyde with N-benzyl-N-ethyl M-toluidine is condensed, and the condensation product is subsequently sulfonated to obtain a trisulfonic acid compound, which is then oxidized and reacted with p-aminophenyl ether to obtain the product after neutralization. The finished product is obtained by salting out, filtering, drying and crushing. . . 1000kg N-ethyl-N-benzyl-m-toluidine was added to a mixture of 214kg 100% sulfuric acid, 126kg ice and 14kg ethanol, then 245kg benzaldehyde was added, reacted at 100°C for 50h, and heated to a temperature within 10h Part of the water is steamed out at 110°C, and then the materials are quickly poured into the pan, a large amount of water evaporates, and the condensation product is about 1500kg. Add 750kg of condensate to 1500kg of 100% sulfuric acid within 24h until it is completely dissolved. Add 1040kg of 65% fuming sulfuric acid dropwise below 30°C and stir until the reaction is complete. Then pour it into 3000L of water and 1500kg of ice, heat it to 80°C, add 2700kg of sodium sulfate, precipitate the sulfonated product, and filter. Dilute 1/4 amount of sulfonated product with water, add 20kg 50% acetic acid and 30kg 30% hydrochloric acid, heat to 45°C, then add 96kg 100% lead peroxide (make a paste with 200L water), react for 30min, Add 80kg sodium sulfate to precipitate the lead salt and filter at 45°C. The filtrate was salted out with 20% saline solution (by volume), filtered, and the filter cake was washed with 20% brine and dried under vacuum at 95°C to obtain an oxidized product. Take 600kg of the oxidation product, add it to 750kg p-ethoxyaniline at room temperature, heat to 100-105℃, react for 3.5h, cool to 60-70℃, add 5000L water and 800kg 30% hydrochloric acid mixture, stir for 1h, Siphon off the p-ethoxyaniline mother liquor, then add 2000L of hot water, stir for 30min, and after standing still, siphon off the p-ethoxyaniline washing water as well. Dissolve the viscous dye in 35kg of sodium chloride and 30kg of sodium acetate in hot water, then add about 80kg of acetic acid to make it acidic, the dye will precipitate, the waste water will be siphoned off, and it will be dried in vacuum to obtain about 500kg of the dye.

Uses

For dyeing wool and silk

Manufacturing Info：

Benzenemethanaminium, 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-sulfo-, inner salt, sodium salt (1:1): ACTIVE

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:854.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:853.28313751
Monoisotopic Mass:853.28313751
Topological Polar Surface Area:159
Heavy Atom Count:60
Complexity:1610
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

Chlorine dioxide

Benzaldehyde

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