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| CAS No.: | 71872-76-9 |
|---|---|
| Name: | REACTIVE BLUE 160 |
| Molecular Structure: | |
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| Formula: | C29H35Cl2N5Na2O9S2 |
| Molecular Weight: | 778.63 |
| Synonyms: | Benzoicacid,2-[[[[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-5-sulfo-,pentasodium salt (9CI);Blue H-ERD;C.I. 137160;C.I. Reactive Blue 160;Evercion Blue H-ERD;Procion Blue H-ERD;Reactive Blue 160;Reactive Blue HERD; |
| PSA: | 566.53000 |
| LogP: | 5.91330 |
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Specification
This chemical is called Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-,sodium salt (1:5), and it's also named as C.I. Acid Yellow 218. With the molecular formula of C29H35Cl2N5Na2O9S2, its molecular weight is 778.63. The CAS registry number of this chemical is 71872-76-9. Additionally, its product category is Organics.
Other characteristics of the Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-,sodium salt (1:5) can be summarised as followings: (1)#H bond acceptors: 14; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 18; (4)Polar Surface Area: 226.88 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].CCCCCCCCCCCCOC(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O
2.InChI: InChI=1/C29H37Cl2N5O9S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44;;/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
3.InChIKey: HKAOXGYNZYWYAQ-NUQVWONBAB