Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl chlorides
Alternative Parents	Phenoxy compounds Phenol ethers Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzyl chloride - Phenol ether - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
External Descriptors	Not available
1. 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. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2205500	Certificate of Analysis	Jun 15, 2026	T120480
G2416120	Certificate of Analysis	Apr 10, 2024	T120480
H1930135	Certificate of Analysis	Jun 08, 2023	T120480

Chemical and Physical Properties

Molecular Weight	210.580 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	210.006 Da
Monoisotopic Mass	210.006 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Pubchem Sid	508807927
Canonical Smiles	C1=CC=C(C(=C1)CCl)OC(F)(F)F
IUPAC Name	1-(chloromethyl)-2-(trifluoromethoxy)benzene
InChIKey	ZGXDTWNEZOBSBJ-UHFFFAOYSA-N
INCHI	1S/C8H6ClF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
Isomeric SMILES	C1=CC=C(C(=C1)CCl)OC(F)(F)F
PubChem CID	4656677
Molecular Weight	210.58

2-(Trifluoromethoxy)benzyl chloride - ≥98% , CAS No.116827-40-8

Specifications