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Basic Information
CAS No.: 6360-54-9
Name: C.I. DIRECT BROWN 154, DISODIUM SALT (8CI)
Molecular Structure:
Molecular Structure of 6360-54-9 (C.I. DIRECT BROWN 154, DISODIUM SALT (8CI) )
Formula: C33H28N8O6S•2 Na
Molecular Weight: 710.73
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Low toxicity by ingestion. An eye irritant. When heated to decomposition it emits toxic vapors of NOx and SOx.
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Chemistry

IUPAC Name: Disodium (3Z)-3-[[4-[4-[2,6-diamino-3-methyl-5-(4-sulfonatophenyl)diazenylphenyl]diazenylphenyl]phenyl]hydrazinylidene]-5-methyl-6-oxocyclohexa-1,4-diene-1-carboxylate
Synonyms of C.I. Direct Brown 154, disodium salt (8CI) (CAS NO.6360-54-9): C.I. Direct Brown 154 ; C.I. Direct Brown 154, disodium salt ; Diaphtamine Brown 3GC ; Metadiazol Brown 450 ; Pontamine Brown N3G  ; Benzoic acid, 5-((4'-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-3-methyl-, 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-3-methyl-, sodium salt (1:2) C.I. Direct Brown 154, disodium salt (8CI) ; Disodium 5-((4'-((2,6-diamino-3-methyl-5-((4-sulphonatophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-methylsalicylate
InChI: InChI=1/C33H28N8O6S.2Na/c1-18-16-28(40-37-24-11-13-26(14-12-24)48(45,46)47)30(35)31(29(18)34)41-38-23-9-5-21(6-10-23)20-3-7-22(8-4-20)36-39-25-15-19(2)32(42)27(17-25)33(43)44;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2 Copy
InChIKey: FAQUHXBTAIFQMH-NUQVWONBAI
Std. InChI: InChI=1S/C33H28N8O6S.2Na/c1-18-16-28(40-37-24-11-13-26(14-12-24)48(45,46)47)30(35)31(29(18)34)41-38-23-9-5-21(6-10-23)20-3-7-22(8-4-20)36-39-25-15-19(2)32(42)27(17-25)33(43)44;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2 Copy
Std. InChIKey: FAQUHXBTAIFQMH-UHFFFAOYSA-L
CAS NO: 6360-54-9
Molecular Formula: C33H26N8Na2O6S
Molecular Weight: 708.6541
Molecular Structure :
H bond acceptors: 14
H bond donors: 7
Freely Rotating Bonds: 12
Polar Surface Area: 252.14 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 6330mg/kg (6330mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 9960mg/kg (9960mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION		 Office of Toxic Substances Report. Vol. OTS,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. An eye irritant. When C.I. Direct Brown 154, disodium salt (8CI) (CAS NO.6360-54-9) is heated to decomposition, it emits toxic vapors of NOx and SOx.