4-Chloro-3-(trifluoromethyl)phenyl isocyanate (CHEM057213)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 17:45:41 UTC | ||||||||
| Update Date | 2026-08-24 18:43:17 UTC | ||||||||
| Accession Number | CHEM057213 | ||||||||
| Identification | |||||||||
| Common Name | 4-Chloro-3-(trifluoromethyl)phenyl isocyanate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-Chloro-3-(trifluoromethyl)phenyl isocyanate (C8H3Cl1F3N1O1) is an organic compound with an average molecular weight of 221.56 g/mol. 4-Chloro-3-(trifluoromethyl)phenyl isocyanate belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has been found in or released from one recorded source: drinking water and water supply. The recorded exposure route for this substance is oral. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C8H3Cl1F3N1O1 | ||||||||
| Average Molecular Mass | 221.560 g/mol | ||||||||
| Monoisotopic Mass | 220.986 g/mol | ||||||||
| CAS Registry Number | 327-78-6 | ||||||||
| IUPAC Name | 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | FC(F)(F)C1=C(Cl)C=CC(=C1)N=C=O | ||||||||
| InChI Identifier | InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H | ||||||||
| InChI Key | NBJZEUQTGLSUOB-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 | ||||||||
