CHEBI:615597 - benzyl chloride

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ChEBI Name benzyl chloride ChEBI ID CHEBI:615597 Definition A member of the class of benzyl chlorides that is toluene substituted on the α-carbon with chlorine. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:51506 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H7Cl Net Charge 0 Average Mass 126.58318 Monoisotopic Mass 126.02363 InChI InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 InChIKey KCXMKQUNVWSEMD-UHFFFAOYSA-N SMILES ClCc1ccccc1 ChEBI Ontology Outgoing benzyl chloride (CHEBI:615597) is a benzyl chlorides (CHEBI:59852) IUPAC Name (chloromethyl)benzene Synonyms Sources α-Chlorotoluene NIST Chemistry WebBook alpha-Chlorotoluene ChemIDplus alpha-Chlortoluol ChemIDplus Benzylchlorid ChemIDplus Chlorure de benzyle ChemIDplus ω-Chlorotoluene NIST Chemistry WebBook Manual Xrefs Databases 1644 PPDB Benzyl_chloride Wikipedia C19167 KEGG COMPOUND HMDB0059882 HMDB View more database links Registry Numbers Types Sources 100-44-7 CAS Registry Number ChemIDplus 100-44-7 CAS Registry Number NIST Chemistry WebBook 471308 Reaxys Registry Number Reaxys 471308 Beilstein Registry Number Beilstein Citation Type Source 24559471 PubMed citation Europe PMC Last Modified 28 July 2014