C.I. Direct Black 122 (CHEM063054)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 08:54:06 UTC | ||||||||
| Update Date | 2026-08-22 19:38:39 UTC | ||||||||
| Accession Number | CHEM063054 | ||||||||
| Identification | |||||||||
| Common Name | C.I. Direct Black 122 | ||||||||
| Class | Small Molecule | ||||||||
| Description | C.I. Direct Black 122 belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C58H41N15O24S4. With an average molecular weight of 1,460 g/mol, C.I. Direct Black 122 is a heavy molecule. This compound is further classified within the superclass of benzenoids. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C58H41N15O24S4 | ||||||||
| Average Molecular Mass | 1460.290 g/mol | ||||||||
| Monoisotopic Mass | 1459.133 g/mol | ||||||||
| CAS Registry Number | 16894-32-9 | ||||||||
| IUPAC Name | 2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]-8-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=CC(=C1)N=NC1=C(C=C2C(C=CC(N)=C2N=NC2=CC(C(O)=O)=C(O)C=C2)=C1O)S(O)(=O)=O)N=NC1=C(O)C2=C(N)C(N=NC3=C(C=C(C=C3)N=NC3=C(C=C4C(C=CC(N)=C4N=NC4=CC(C(O)=O)=C(O)C=C4)=C3O)S(O)(=O)=O)C(O)=O)=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C58H41N15O24S4/c1-97-40-19-26(65-72-51-44(101(94,95)96)21-30-28(54(51)77)7-9-35(60)48(30)69-63-25-5-13-39(75)33(18-25)58(83)84)3-11-37(40)67-73-52-42(99(88,89)90)15-22-14-41(98(85,86)87)49(46(61)45(22)55(52)78)70-66-36-10-2-23(16-31(36)56(79)80)64-71-50-43(100(91,92)93)20-29-27(53(50)76)6-8-34(59)47(29)68-62-24-4-12-38(74)32(17-24)57(81)82/h2-21,74-78H,59-61H2,1H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b68-62?,69-63+,70-66+,71-64+,72-65+,73-67+ | ||||||||
| InChI Key | SSYZQXVEUDAUOJ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
