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| CAS No.: | 992-59-6 | |
|---|---|---|
| Name: | BENZOPURPURIN 4B | |
| Molecular Structure: | ||
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| Formula: | C34H28 N6 O6 S2 . 2 Na | |
| Molecular Weight: | 724.76 | |
| 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 | |
| EINECS: | 213-594-3 | |
| Density: | g/cm3 | |
| Melting Point: | ca. 290 C (decomposes) | |
| Boiling Point: | °Cat760mmHg | |
| Flash Point: | °C | |
| Solubility: | Toxicity data (The mean"> slight
Stability
Toxicology
Toxicity data |
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| Appearance: | dark red or brown powder | |
| Hazard Symbols: |
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| Risk Codes: | 45 | |
| 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. |
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| PSA: | 232.64000 | |
| LogP: | 11.40420 | |
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Chemistry
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
Toxicity Data With Reference
| 1. | mma-sat 30 µg/plate | JTEHD6 Journal of Toxicology and Environmental Health. 18 (1986),111. |
Consensus Reports
Reported in EPA TSCA Inventory.
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:
TT
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
Analytical Methods
For occupational chemical analysis use NIOSH: Dyes, 5013.
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.