Metabolomics Structure Database
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MW REGNO: | 52782 |
Common Name: | Benzyl chloride |
Systematic Name: | chloromethylbenzene |
RefMet Name: | Benzyl chloride |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H7Cl |
InChIKey: | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Benzyl halides [C0003981] |
ClassyFire direct parent: | Benzyl chlorides [C0003980] |
Massbank MS spectra: | View MS spectra |
SMILES: | c1ccc(cc1)CCl |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 7503 |
CHEBI ID: | 615597 |
HMDB ID: | HMDB0059882 |
EPA CompTox DB: | DTXCID00153 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y