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2,7-Naphthalenedisulfonicacid,4-amino-3,6-bis[2-[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-,sodium salt (1:6) (61931-49-5)

Identification
Name:2,7-Naphthalenedisulfonicacid,4-amino-3,6-bis[2-[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-,sodium salt (1:6)
Synonyms:2,7-Naphthalenedisulfonicacid,4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-,hexasodium salt (9CI);C.I. 205075;C.I. Reactive Green 19;Kayacion Green E-S4BD;Procion Green H-E 4BDA;Procion Green HE 4BD;Reactive Green 19;ReactiveGreen HE 4BD;Sigma Reactive Green 19;
CAS:61931-49-5
Molecular Formula: C40H23Cl2N15O19S6.6Na
Molecular Weight: 1418.95
InChI: InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6/b56-54+,57-55+;;;;;;
Molecular Structure: (C40H23Cl2N15O19S6.6Na) 2,7-Naphthalenedisulfonicacid,4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The IUPAC name of Procion green H-E4BD is hexasodium (6E)-4-amino-3-[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate . With CAS registry number 61931-49-5, it is also named as C.I. Reactive Green 19 ; 4-Amino-3,6-bis[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-2,7-naphthalenedisulfonic acid hexasodium salt .

The product's categories are Q-R, Stains and Dyes. It can be used for the dyeing of cotton, viscose fiber, and also for wovening flowers of cotton and viscose fabric directly. In addition, it is used for dyeing of linen, cotton and polyester fabrics. This product is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -3.96 ; (2)# of Rule of 5 Violations: 3 ; (3)ACD/LogD (pH 5.5): -12.45 ; (4)ACD/LogD (pH 7.4): -12.46 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 34 ; (10)#H bond donors: 13 ; (11)#Freely Rotating Bonds: 15 ; (12)Rotatable Bond Count: 12 ; (13)Tautomer Count: 874 ; (14)Exact Mass: 1416.838211 ; (15)MonoIsotopic Mass: 1416.838211 ; (16)Topological Polar Surface Area: 611 ; (17)Heavy Atom Count: 88 ; (18)Complexity: 3030.

People can use the following data to convert to the molecule structure. SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(/N=N/c7c(cc6\C=C(/C(=N\Nc3ccc(cc3S([O-])(=O)=O)Nc4nc(nc(Cl)n4)Nc5cccc(c5)S([O-])(=O)=O)C(=O)c6c7N)S([O-])(=O)=O)S([O-]) (=O)=O)c(c8)S([O-])(=O)=O; InChI: InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,55H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6/b56-54+,57-33+;;;;;;.

The Procion green H-E4BD has many suppliers, such as Ningbo Dynasty Chemical Co., Ltd., Saujanya Dye Chem and Winchem Industrial Co., Ltd..

Flash Point: °C
Safety Data
Hazard Symbols Xi: Irritant
 

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