Direct Brown 31

Base Information

• Chemical Name: Direct Brown 31
• CAS No.: 2429-81-4
• Deprecated CAS: 1092061-43-2
• Molecular Formula: C46H34 N10 O13 S3 . 4 Na
• Molecular Weight: 1119.00
• European Community (EC) Number: 219-390-0
• UNII: H1UGX66R5X
• DSSTox Substance ID: DTXSID2036823
• Wikidata: Q27279521
• Mol file: 2429-81-4.mol

Synonyms:Direct Brown 31;Chocolate EMBL;2429-81-4;Diazol cutch F;C.I. Direct Brown 31;Diazol cutch FB;Triazol Brown B;Direct Brown B;Direct Brown BS;Direct Brown FS;Vondacel Brown S;Direct Brown 3B;Fixanol Brown LF;Calcomine Brown B;Direct Brown BSB;Direct Brown TRB;Atlantic Brown BP;Benzanil Brown BS;Diphenyl Brown BS;Diphenyl Brown TB;Vondacel Brown SP;Fenamin Brown PBL;Chlorazol Brown LF;Pontamine Brown BT;Airedale Brown BSD;Atlantic Brown BCW;Cupranil Brown BCW;Erie Fast Brown B;Trisulphone Brown B;Pontamine Brown BCW;Calcomine catechu 2B;Cupranil Brown BCWR;Amanil Rayon Brown B;Benzo Deep Brown NZ;C.I. Direct Brown 31, tetrasodium salt;Tertrodirect Brown TB;Amanil Fast Brown HP;Direct Fast Brown BP;Diphenyl Fast Brown F;Direct Fast Brown TSN;Direct Fast Brown TWC;Phenamine Fast Brown T;Vegentine Fast Brown B;Belamine Fast Brown BP;Hispamin Fast Brown NZ;Chrome Leather Brown BS;Phenamine Fast Brown TWC;Diaphtamine Fast Brown TB;H1UGX66R5X;EINECS 219-390-0;C.I.35660;UNII-H1UGX66R5X;Benzoic acid, 5-((4'-((2,6-diamino-3-((8-hydroxy-3,6-disulfo-7-((4-sulfo-1-naphthalenyl)azo)-2-naphthalenyl)azo)-5-methylphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, tetrasodium salt;tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate;Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:4);Tetrasodium 5-((4'-((2,6-diamino-3-((8-hydroxy-3,6-disulphonato-7-((4-sulphonato-1-naphthyl)azo)-2-naphthyl)azo)-5-tolyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate;Tetrasodium 5-[[4'-[[2,6-diamino-3-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]-5-tolyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate;CI DIRECT BROWN 31;DTXSID2036823;AKOS024429591;CI 35660;LS-36740;C.I. 35660;CI DIRECT BROWN 31, TETRASODIUM SALT;Q27279521

Chemical Property of Direct Brown 31

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 421.27000
• Density: g/cm³
• LogP: 10.30300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 9
• Exact Mass: 1118.0746717
• Heavy Atom Count: 76
• Complexity: 2290

Purity/Quality:

99% ^*data from raw suppliers

PONTAMINE BROWN BCW,BT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])N)N=NC5=C(C=C6C=C(C(=C(C6=C5)O)N=NC7=CC=C(C8=CC=CC=C87)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]