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C.I. Direct Brown 1A, disodium salt
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Name

C.I. Direct Brown 1A, disodium salt

 EINECS N/A
CAS No. 2586-58-5 Density g/cm3
PSA 252.14000 LogP 10.06980
Solubility N/A Melting Point N/A
Formula C32H26 N8 O6 S . 2 Na Boiling Point °Cat760mmHg
Molecular Weight 694.68 Flash Point °C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 2586-58-5 (disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate) Hazard Symbols N/A
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

 

C.I. Direct Brown 1A, disodium salt Chemical Properties

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 :
H bond acceptors: 14
H bond donors: 7
Freely Rotating Bonds: 12
Polar Surface Area: 252.14 Å2

C.I. Direct Brown 1A, disodium salt Consensus Reports

Reported in EPA TSCA Inventory.

C.I. Direct Brown 1A, disodium salt 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.

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