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| CAS No.: | 17095-24-8 |
|---|---|
| Name: | REACTIVE BLACK 5 |
| Molecular Structure: | |
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| Formula: | C26H25N5Na4O19S6 |
| Molecular Weight: | 995.88 |
| Synonyms: | REACTIVE BLACK 5;Remazol Black B; |
| EINECS: | 241-164-5 |
| Density: | 1.21 g/cm3 at 20 °C |
| Melting Point: | >300 °C(lit.) |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 42 |
| Safety: | 36 |
| PSA: | 461.51000 |
| LogP: | 8.33360 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
Reactive Black 5 has the Synonyms of 2,7-Naphthalenedisulfonic acid, 3,6-(bis(4-((2-hydroxyethyl)sulfonyl)phenyl)bis(azo))-5-amino-4-hydroxy-, di(hydrogen sulfate) ester, tetrasodium salt; 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, tetrasodium salt; 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis(2-(4-((2-(sulfooxy ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:4); Tetrasodium 4-amino-5-hydroxy-3,6-bis((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonate. With the CAS NO.17095-24-8, it has the Molecular Formula of C26H21N5Na4O19S6 and Molecular Weight of 991.8161.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;;
(2)InChIKey=HFIYIRIMGZMCPC-YOLJWEMLSA-J;
(3)Smilesc12c(cc(S(=O)(=O)[O-])c(c1N)\N=N\c1ccc(S(CCOS(=O)(=O)[O-])(=O)=O)cc1)cc(S(=O)(=O)[O-])c(c2O)\N=N\c1ccc(S(CCOS(=O)(=O)[O-])(=O)=O)cc1.[Na+].[Na+].[Na+].[Na+]