1-(Bromomethyl)-4-(1,1,2,2-tetrafluoroethoxy)benzene - CAS 67033-41-4

Catalog:	BB055427
Product Name:	1-(Bromomethyl)-4-(1,1,2,2-tetrafluoroethoxy)benzene
CAS:	67033-41-4
Synonyms:	1-(Bromomethyl)-4-(1,1,2,2-tetrafluoroethoxy)benzene

Technical Data

IUPAC Name:	1-(bromomethyl)-4-(1,1,2,2-tetrafluoroethoxy)benzene
Description:	1-(Bromomethyl)-4-(1,1,2,2-tetrafluoroethoxy)benzene is used in preparation of Aminoethanol derivatives as Cholesteryl Ester transfer protein inhibitors for treatment of Hyperlipidemia.
Molecular Weight:	287.04
Molecular Formula:	C9H7OF4Br
Canonical SMILES:	C1=CC(=CC=C1CBr)OC(C(F)F)(F)F
InChI:	InChI=1S/C9H7BrF4O/c10-5-6-1-3-7(4-2-6)15-9(13,14)8(11)12/h1-4,8H,5H2
InChI Key:	MZTLKRLBGMLXEL-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless Low-Melting Solid
Storage:	-20°C, Inert atmosphere
References:	Yamamoto, T., et al. PCT Int. Appl., (2002), WO 2002059077 A1.

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.96164
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.96164
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1