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4-(Trifluoromethoxy)benzyl Chloride

4-(Trifluoromethoxy)benzyl Chloride - CAS 65796-00-1

Catalog:	BB032831
Product Name:	4-(Trifluoromethoxy)benzyl Chloride
CAS:	65796-00-1
Synonyms:	1-(chloromethyl)-4-(trifluoromethoxy)benzene; 1-(chloromethyl)-4-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-(chloromethyl)-4-(trifluoromethoxy)benzene
Description:	4-(Trifluoromethoxy)benzyl Chloride (CAS# 65796-00-1) is a useful research chemical.
Molecular Weight:	210.58
Molecular Formula:	C8H6ClF3O
Canonical SMILES:	C1=CC(=CC=C1CCl)OC(F)(F)F
InChI:	InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChI Key:	LBMKFQMJURUPKC-UHFFFAOYSA-N
Boiling Point:	72-73 °C (15 mmHg)
Density:	1.34 g/cm³
MDL:	MFCD00052326
LogP:	3.32400

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2020239074-A1	Bicyclic compound as rip-1 kinase inhibitor and application thereof	20190531
CN-112313222-A	Tetrahydroisoquinoline derivatives, preparation method and application thereof	20180619
US-2021277021-A1	Tetrahydroisoquinoline derivative, preparation method therefor and use thereof	20180619
CN-110015952-A	Diarylmethanes class compound and its preparation method and application	20180110

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GHS Hazard Statement:	H290 (14.29%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P390, P403+P233, P404, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0059270
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.0059270
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5