1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)- (CHEM070683)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 02:21:01 UTC | ||||||||
| Update Date | 2026-04-04 02:21:01 UTC | ||||||||
| Accession Number | CHEM070683 | ||||||||
| Identification | |||||||||
| Common Name | 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H48Cl4N2O2 | ||||||||
| Average Molecular Mass | 754.660 g/mol | ||||||||
| Monoisotopic Mass | 752.247 g/mol | ||||||||
| CAS Registry Number | 50293-19-1 | ||||||||
| IUPAC Name | 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCN1C(C)=C(C2=CC=CC=C12)C1(OC(=O)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C12)C1=C(C)N(CCCCCCCC)C2=CC=CC=C12 | ||||||||
| InChI Identifier | InChI=1S/C42H48Cl4N2O2/c1-5-7-9-11-13-19-25-47-27(3)34(29-21-15-17-23-31(29)47)42(36-33(41(49)50-42)37(43)39(45)40(46)38(36)44)35-28(4)48(26-20-14-12-10-8-6-2)32-24-18-16-22-30(32)35/h15-18,21-24H,5-14,19-20,25-26H2,1-4H3 | ||||||||
| InChI Key | PSGMBHLSJFAHLW-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 | ||||||||
