Bromchlorenone (CHEM071752)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 05:28:11 UTC | ||||||||
| Update Date | 2026-08-23 23:23:43 UTC | ||||||||
| Accession Number | CHEM071752 | ||||||||
| Identification | |||||||||
| Common Name | Bromchlorenone | ||||||||
| Class | Small Molecule | ||||||||
| Description | Bromchlorenone is an organic compound with the formula C7H3Br1Cl1N1O2 and an average molecular weight of 248.46 g/mol. Bromchlorenone belongs to the benzoxazolones, a subclass of benzoxazoles within the organic compounds. This organoheterocyclic compound has been identified in or released from two recorded sources, which include tobacco smoke filters and household cleaning and consumer products such as soap dispensers. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C7H3Br1Cl1N1O2 | ||||||||
| Average Molecular Mass | 248.460 g/mol | ||||||||
| Monoisotopic Mass | 246.904 g/mol | ||||||||
| CAS Registry Number | 5579-85-1 | ||||||||
| IUPAC Name | 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | ClC1=C(Br)C=C2OC(=O)NC2=C1 | ||||||||
| InChI Identifier | InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11) | ||||||||
| InChI Key | KVAWWXSLBDVXHJ-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 | ||||||||
