52239-04-0

Basic information

• Product Name: methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate
• Synonyms: methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate;C.I. Disperse Blue 148 press cake;.beta.-Alanine, N-ethyl-N-4-(5-nitro-2,1-benzisothiazol-3-yl)azophenyl-, methyl ester;Disperse blue 148 (C.I. 11124);-Alanine, N-ethyl-N-[4-[(5-nitro-2, 1-benzisothiazol-3-yl)azo]phenyl]-, methyl ester;3-[[4-(5-Nitro-2,1-benzisothiazole-3-ylazo)phenyl]ethylamino]propionic acid methyl ester;N-Ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-β-alanine methyl ester;methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-β-alaninate
• CAS NO: 52239-04-0
• Molecular Formula: C₁₉H₁₉N₅O₄S
• Molecular Weight: 413.45026
• EINECS: 257-779-7
• Product Categories: Organics
• Mol File: 52239-04-0.mol

Chemical Properties

• Boiling Point: 597.5 °C at 760 mmHg
• Flash Point: 315.2 °C
• Appearance: /
• Density: 1.38 g/cm³
• PKA: 2.19±0.50(Predicted)
• CAS DataBase Reference: methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate(52239-04-0)
• EPA Substance Registry System: methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate(52239-04-0)

Safety Data

• Hazardous Substances Data: 52239-04-0(Hazardous Substances Data)

Usage

Uses

Used in Textile Industry:
Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate is used as a colorant for textiles, providing excellent light fastness and resistance to fading and staining. It is particularly effective in maintaining color intensity under various conditions, such as exposure to sunlight, washing, and perspiration.
Used in Standard (Vinegar fiber):
Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate is used as a colorant for vinegar fiber, a type of regenerated cellulose fiber. It offers high color fastness and resistance to fading and staining, making it suitable for use in high-quality textiles.
Used in ISO Standards:
Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate meets the ISO standards for color fastness, with ratings ranging from 3-6. This ensures that textiles treated with this compound maintain their color and resist fading and staining under various conditions, such as exposure to light, washing, and perspiration.

Preparation

5-Nitro-1,3-dihydrobenzo[c]isothiazol-3-amine diazo, and Methyl 3-(ethyl(phenyl)amino)propanoate?coupling.

Flammability and Explosibility

Notclassified

Standard(Vinegar fiber)

Ironing Fastness

Fading

Stain

Upstream product

• 38954-40-4 N-ethyl-N-[2-(methoxycarbonyl)ethyl]aniline 
• 21608-06-0 N-ethyl-N'-2-(methoxycarbonyl)ethylaniline 
• 14346-19-1 3-amino-5-nitro-2,1-benzoisothiazole 

Relevant articles and documents

Structural and spectral characterizations of C.I. Disperse Blue 148 having a new crystalline form

Single-crystal structures of the best high-temperature trichromatic blue azo dye C.I. Disperse Blue 148 and its diazonium component 3-amino-5-nitro-[2,1] - benzisothiazole are described herein. C.I. Disperse Blue 148 exhibits an essentially coplanar molecular structure and a dimeric packing mode between adjacent phenyl and benzisothiazole rings. Particularly, PXRD measurement reveals the existence of a new crystalline form of C.I. Disperse Blue 148 having the highest melting point and the best thermal stability, which is obviously different from all the known α, β, and γ forms. A one-phase recrystallization method, which can guarantee the complete transformation, is used to prepare the new crystalline form instead of the conventional heating of an aqueous suspension of α form. Furthermore, TGA-DSC and pH titration experiments have been carried out to reveal the thermal and pH stabilities of this heterocyclic dye. To our knowledge, this is the first structural example on benzisothiazole involved azo dyes.

Dye composition

The invention provides a dye composition for dyeing fibers comprising (a) an azo dye of formula (II) or a salt thereof, and (b) an azo dye of formula (III) or a salt thereof. The invention provides navy and black dye compositions, especially suitable for dyeing secondary cellulose acetate fibers, with superior fastness properties than known navy/black dyes. Preferably, the α-crystal form of dye (III) is used, which has greater solubility and achieves quicker dyeing than the commonly-used β and γ forms of (III) when dyeing cellulose acetate at 60-95° C. A new method of making the α form is disclosed.