CAS No.8003-69-8,Direct Black 80 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	8003-69-8
Name:	Direct Black 80

Formula:	C₃₆H₂₃N₈O₁₁S₃Na
Molecular Weight:	908.79
Synonyms:	C.I. Direct Black 80;
EINECS:	232-322-4
Appearance:	dark blue to black powder
PSA:	363.40000
LogP:	12.08510

Total:32 Page 1 of 1 1

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Specification

The 2-Naphthalenesulfonicacid, 6-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or7)-sulfo-1-naphthalenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3), with the CAS registry number 8003-69-8, is also known as Direct Black 80. It belongs to the product categorie of Organics. Its EINECS registry number is 232-322-4. This chemical's molecular formula is C₃₆H₂₃N₈O₁₁S₃Na and molecular weight is 908.791.What's more, its IUPAC name is trisodium (3Z)-6-amino-3-[[(7Z)-7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-8-oxo-6-sulfonatonaphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate. Direct Black 80 is an azodark blue to black powder compound, and explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. Direct Black 80 is incompatible with oxidizing and reducing agents. When heated to decomposition it emits toxic fumes of nitrogen oxides.

Physical properties about DirectblackOB are: (1)#H bond acceptors: 19; (2)#H bond donors: 9; (3)#Freely Rotating Bonds: 13; (4)Polar Surface Area: 363.4 Å².

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N)ccc7/N=N\c2ccc(cc2)/N=N/c4c(cc3ccc(cc3c4O)\N=N/c6c(cc5ccc(N)cc5c6O)S([O-])(=O)=O)S([O-])(=O)=O
(2)InChI:InChI=1S/C36H26N8O11S3.3Na/c37-20-3-1-18-13-31(57(50,51)52)33(35(45)26(18)15-20)44-41-23-4-2-19-14-32(58(53,54)55)34(36(46)27(19)16-23)43-40-22-7-5-21(6-8-22)39-42-30-12-11-29(38)25-10-9-24(17-28(25)30)56(47,48)49;;;/h1-17,45-46H,37-38H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b42-39-,43-40+,44-41-
(3)InChIKey: ZHFRUBUQJRJWPO-QAUIOTGMBQ