Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- (CHEM077167)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 17:38:53 UTC | ||||||||
| Update Date | 2026-08-18 00:32:09 UTC | ||||||||
| Accession Number | CHEM077167 | ||||||||
| Identification | |||||||||
| Common Name | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C10H13N1O2 and an average molecular weight of 179.22 g/mol. It is further classified under the superclass of lipids and lipid-like molecules. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C10H13N1O2 | ||||||||
| Average Molecular Mass | 179.219 g/mol | ||||||||
| Monoisotopic Mass | 179.095 g/mol | ||||||||
| CAS Registry Number | 943-15-7 | ||||||||
| IUPAC Name | 1-methyl-2-nitro-4-propan-2-ylbenzene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C1=CC(=C(C)C=C1)[N+]([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3 | ||||||||
| InChI Key | DRKFWQDBPGTSOO-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
