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| CAS No.: | 2586-58-5 |
|---|---|
| Name: | disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate |
| Molecular Structure: | |
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| Formula: | C32H26 N8 O6 S . 2 Na |
| Molecular Weight: | 694.68 |
| Synonyms: | Benzoicacid,5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-,disodium salt (9CI); C.I. Direct Brown 1A, disodium salt (8CI); Atlantic BrownD 3Y; Atul Direct Brown CN; Benzo Brown D 3GA-CF; C.I. 30110; C.I. Direct Brown1:1; C.I. Direct Brown 1:2; Chlorazol Orange Brown X; Diphenyl Brown PT; DirectBrown 1:2; Direct Brown 1A; Direct Brown 2GS; Direct Brown 5C; Direct Brown 5G;Direct Brown CGN; Direct Orange R; Direct Orange R (Romanian); Enianil Brown2GS; Fixanol Orange Brown X; Honey Yellow 3GNT; Oxydiamine Brown 3GN; PhenamineBrown D 3G; Pontamine Brown D 3GN; Pontamine Brown NCR |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 252.14000 |
| LogP: | 10.06980 |
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Chemistry
IUPAC Name: Disodium (3E)-3-[[4-[4-[2,6-diamino-3-methyl-5-(4-sulfonatophenyl)diazenylphenyl]diazenylphenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
Synonyms of C.I. Direct Brown 1A, disodium salt (CAS NO.2586-58-5): Atlantic Brown D 3Y ; Atul Direct Brown CN ; Benzo Brown D 3GA-CF ; C.I. Direct Brown 1:2 ; Oxydiamine Brown 3GN ; Honey Yellow 3GNT ; Benzoic acid, 5-((4'-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt ; Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2) ; Disodium 5-((4'-((2,6-diamino-3-methyl-5-((4-sulphonatophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate
InChI: InChI=1/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,41H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2
InChIKey: LQLLXIYULIMXDU-NUQVWONBAG
Std. InChI: InChI=1S/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,41H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2
Std. InChIKey: LQLLXIYULIMXDU-UHFFFAOYSA-L
CAS NO: 2586-58-5
Molecular Formula: C32H24N8Na2O6S
Molecular Weight: 694.6275
Molecular Structure : .png)
H bond acceptors: 14
H bond donors: 7
Freely Rotating Bonds: 12
Polar Surface Area: 252.14 Å2
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When C.I. Direct Brown 1A, disodium salt (CAS NO.2586-58-5) is heated to decomposition, it emits toxic vapors of NOx and SOx.