Malononitrile, (3,4,5-trimethoxybenzylidene)- (CHEM071905)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 05:41:49 UTC | ||||||||
| Update Date | 2026-08-18 23:02:01 UTC | ||||||||
| Accession Number | CHEM071905 | ||||||||
| Identification | |||||||||
| Common Name | Malononitrile, (3,4,5-trimethoxybenzylidene)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Malononitrile, (3,4,5-trimethoxybenzylidene)- belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is a member of the benzenoids superclass with the formula C13H12N2O3. This compound has an average molecular weight of 244.25 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H12N2O3 | ||||||||
| Average Molecular Mass | 244.250 g/mol | ||||||||
| Monoisotopic Mass | 244.085 g/mol | ||||||||
| CAS Registry Number | 5688-82-4 | ||||||||
| IUPAC Name | 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC(C=C(C#N)C#N)=CC(OC)=C1OC | ||||||||
| InChI Identifier | InChI=1S/C13H12N2O3/c1-16-11-5-9(4-10(7-14)8-15)6-12(17-2)13(11)18-3/h4-6H,1-3H3 | ||||||||
| InChI Key | SHANJVNUXNVEJC-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
