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2-Naphthalenesulfonicacid, 6-amino-5-[2-[2-[(ethylphenylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy- (12217-34-4)

Identification
Name:2-Naphthalenesulfonicacid, 6-amino-5-[2-[2-[(ethylphenylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-
Synonyms:2-Naphthalenesulfonicacid, 6-amino-5-[[2-[(ethylphenylamino)sulfonyl]phenyl]azo]-4-hydroxy- (9CI);C.I. Acid Red 57 (8CI);Acid Red 3GX;Acid Rubine3GP;Apollo Nylon Fast Red L-BL;Best Acid Light Red 3B;Chugacid Rubinol 3GA;Covanyl Red 3GP;Daedo Acid Red C-BL;Dyacid Red 3GP;Eniacid Red 3GP;Eniamide Red 1-3GL;Euramina Red 3G;Hispalon Red B 3B;Intracid Fast Red 3GP;Kenamide Red G3B;Lerui Acid Red 3GX;Nylomine Acid Red B 3B;Nylosan RedE-BL;Rifa Acid Fast Red E-BL;Simacid Red 24897;Tectilon Red 3B;Triacid Fast Rubinol 3GP;
CAS:12217-34-4
EINECS: 235-396-6
Molecular Formula: C24H22N4O6S2
Molecular Weight: 571.55
InChI: InChI=1/C24H22N4O6S2/c1-2-15-7-3-4-8-19(15)28-35(30,31)22-10-6-5-9-20(22)26-27-24-18(25)12-11-16-13-17(36(32,33)34)14-21(29)23(16)24/h3-14,25-28H,2H2,1H3,(H,32,33,34)/b25-18+
Molecular Structure: (C24H22N4O6S2) 2-Naphthalenesulfonicacid, 6-amino-5-[[2-[(ethylphenylamino)sulfonyl]phenyl]azo]-4-hydroxy- (9CI);C....
Properties
Density:1.48
Refractive index:1.699
Appearance:red powder
Specification:

The Acid Red 57 is red powder. Its cas registry number is 12217-34-4. And its EINECS registry number is 235-396-6. This chemical is also known as 6-Amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid which is also its systematic name. Its IUPAC name is called 5-[2-[2-[ethyl(phenyl)sulfamoyl]phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid . This chemical is a kind of dyes which is mainly used for dyeing nylon fabrics and can also be used for leather coloring.

Physical properties about this chemical are: (1) ACD/LogP: 0.32 ; (2) # of Rule of 5 Violations: 2 ; (3) #H bond acceptors: 10 ; (4) #H bond donors: 4 ; (5) #Freely Rotating Bonds: 9 ; (6) Polar Surface Area: 179.48 Å2 ; (7) Index of Refraction: 1.69 ; (8) Molar Refractivity: 135.96 cm3 ; (9) Molar Volume: 355.6 cm3 ; (10) Polarizability: 53.9 × 10-24cm3 ; (11) Surface Tension: 64.7 dyne/cm.

Preparation of Acid Red 57 : this chemical is made by 2-amino-N-ethyl benzene sulfonyl aniline and γ
acid, first of all the former diazotization, coupling with the latter, then get the product. After filtration, drying, grinding was finished can get the Acid Red 57.

You can still convert the following datas into molecular structure:
(1) SMILES: CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O;
(2) InChI: InChI=1/C24H22N4O6S2/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24/h3-15,29H,2,25H2,1H3,(H,32,33,34);
(3) InChIKey: RJZLMBIYRSBCDQ-UHFFFAOYAR

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