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Reactive Green 19
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Name

Reactive Green 19

 EINECS 268-520-2
CAS No. 68110-31-6 Density N/A
PSA 614.63000 LogP 12.39220
Solubility N/A Melting Point N/A
Formula C40H23Cl2N15O19S6.6Na Boiling Point N/A
Molecular Weight 1418.92 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 68110-31-6 (hexasodium 4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate) Hazard Symbols N/A
Synonyms

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;

 

Reactive Green 19 Specification

The CAS register number of Reactive Green 19 is 68110-31-6. It also can be called as 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 and the IUPAC name about this chemical 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. The molecular formula about this chemical is C40H23Cl2N15O19S6.6Na and the molecular weight is 1418.92. It belongs to the Organics.

Physical properties about Reactive Green 19 are: (1)#H bond acceptors: 34; (2)#H bond donors: 13; (3)#Freely Rotating Bonds: 16; (4)Polar Surface Area: 614.63 ?2; (5)H-Bond Donor: 6; (6)H-Bond Acceptor: 34; (7)Rotatable Bond Count: 12; (8)Tautomer Count: 874; (9)Exact Mass: 1416.838211; (10)MonoIsotopic Mass: 1416.838211; (11)Topological Polar Surface Area: 611; (12)Heavy Atom Count: 88; (13)Complexity: 3030; (14)Defined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 7.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O) c(c8)S([O-])(=O)=O
(2)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
(3)InChIKey: WOSYRUIVNDCHHH-CYFPFDDLAY
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: WOSYRUIVNDCHHH-UHFFFAOYSA-H

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