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Ditolylbis(azonaphthionic acid)

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Name

Ditolylbis(azonaphthionic acid)

EINECS 213-594-3
CAS No. 992-59-6 Density g/cm3
PSA 232.64000 LogP 11.40420
Solubility slight

Stability

    Stable. Incompatible with strong oxidizing agents.

Toxicology

    May be harmful or act as an irritant. Possible carcinogen.

    Toxicity data
    (The mean

Melting Point ca. 290 C (decomposes)
Formula C34H28 N6 O6 S2 . 2 Na Boiling Point °Cat760mmHg
Molecular Weight 724.76 Flash Point °C
Transport Information N/A Appearance dark red or brown powder
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.

Analytical Methods:

   

For occupational chemical analysis use NIOSH: Dyes, 5013.

Risk Codes 45
Molecular Structure Molecular Structure of 992-59-6 (BENZOPURPURIN 4B) Hazard Symbols
Synonyms

1-Naphthalenesulfonicacid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-,disodium salt (9CI); C.I. Direct Red 2 (6CI); C.I. Direct Red 2, disodium salt(8CI); Amanil Purpurine 4B; Atul Direct Red 4B; Azamin 4B; Azocard Red 4B;Bencidal Purple 4B; Benzanil Purpurine 4B; Benzopurpurin 4B; Benzopurpurin B;Benzopurpurine 4B; Benzopurpurine 4BKX; Benzopurpurine 4BX; Brasilamina Red 4B;C.I. 23500; Calcomine Red 4BX; Chrome Leather Red 4B; Cotton Red 4B; DiacottonBenzopurpurine 4B; Diamine Purpurine 4B; Diaphtamine Purpurine 4B; DiazaminePurpurine 4B; Diazine Red 4B; Diazol Purpurine 4B; Diphenyl Red 4B; DiphenylRed 4BS; Direct Purpurine 4B; Direct Purpurine M 4B; Direct Red 2; Direct Red4A; Direct Red 4B; Direct Red DCB; Direct Scarlet 4BE; Eclipse Red; Erie Benzo4BP; Erie Red 4B; Fast Scarlet; Hispamin Red 4B; Kayaku Benzopurpurine 4B;Mitsui Benzopurpurine 4BX; Paper Red 4BS; Phenamine Purpurine 4B; Purpurin 4B;Purpurine 4B; Red 4B; Tertrodirect Red 4B

 

Ditolylbis(azonaphthionic acid) Chemical Properties

Molecule structure of Ditolylbis(azonaphthionic acid) (CAS NO.992-59-6) :

IUPAC Name: disodium 4-amino-3-[4-[4-(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl-3-methylphenyl]-2-methylphenyl]diazenylnaphthalene-1-sulfonate 
Molecular Weight: 724.71638 g/mol
Molecular Formula: C34H26N6Na2O6S2 
log P (octanol-water): 3.720 
Atmospheric OH Rate Constant: 2.79E-11 cm3/molecule-sec
H-Bond Donor: 2
H-Bond Acceptor: 12
Rotatable Bond Count: 5
Tautomer Count: 3
Exact Mass: 724.115063
MonoIsotopic Mass: 724.115063
Topological Polar Surface Area: 216
Heavy Atom Count: 50
Complexity: 1250
Canonical SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)C)
N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]
InChI: InChI=1S/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2
InChIKey: SUXCALIDMIIJCK-UHFFFAOYSA-L
EINECS: 213-594-3
Product Categories: Organics; Analytical Chemistry; Indicator (pH); pH Indicators 
Colour Index: 23500
Merck: 1101

Ditolylbis(azonaphthionic acid) Toxicity Data With Reference

1.    

mma-sat 30 µg/plate

    JTEHD6    Journal of Toxicology and Environmental Health. 18 (1986),111.

Ditolylbis(azonaphthionic acid) Consensus Reports

Reported in EPA TSCA Inventory.

Ditolylbis(azonaphthionic acid) Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.

 

 

Analytical Methods:
For occupational chemical analysis use NIOSH: Dyes, 5013.
Hazard Codes:ToxicTT
Risk Statements: 45
R45:May cause cancer
Safety Statements: 53-45 
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
WGK Germany: 3
RTECS: QK1765000
F: 8 

Ditolylbis(azonaphthionic acid) Analytical Methods

For occupational chemical analysis use NIOSH: Dyes, 5013.

Ditolylbis(azonaphthionic acid) Specification

 Ditolylbis(azonaphthionic acid) (CAS NO.992-59-6) is also called 1-Naphthalenesulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-diphenyl)-4,4'-diyl)bis(azo))bis(4-amino-, disodium salt ; AI3-62957 ; Amanil purpurine ; Amanil purpurine 4B ; Benzanil purpurine 4B ; Benzopurpurine 4BKX ; C.I. Direct Red 2 disodium salt ; Cerven prima 2 [Czech] ; Chrome Leather Red 4B ; Diaphtamine Purpurine 4B ; Diaphtamine purpurine ; Disodium o-tolidinediazobis(1-naphthylamine-4-sulfonate) ; Eclipse Red ; Erie Benzo 4BP ; Mitsui benzopurpurine 4BX ; NSC 5015 ; Phenamine purpurine 4B ; Purpurin 4B ; Tetrodirect Red 4B .  Ditolylbis(azonaphthionic acid) (CAS NO.992-59-6) is dark red or brown powder. It is stable and incompatible with strong oxidizing agents. Ditolylbis(azonaphthionic acid) is also insoluble in water. Ditolylbis(azonaphthionic acid) is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. Flash point data for Ditolylbis(azonaphthionic acid) are not available. Ditolylbis(azonaphthionic acid) is probably combustible.

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