1-Chloro-4-(2,2,2-trichloroethyl)benzene - CAS 3883-14-5

Catalog:	BB069522
Product Name:	1-Chloro-4-(2,2,2-trichloroethyl)benzene
CAS:	3883-14-5
Synonyms:	1-chloro-4-(2,2,2-trichloroethyl)benzene; (4-chlorophenyl)-2,2,2-trichloroethane

Technical Data

IUPAC Name:	1-chloro-4-(2,2,2-trichloroethyl)benzene
Description:	1-Chloro-4-(2,2,2-trichloroethyl)benzene is used as a compound to study effects such as singlet vs triplet reactivity of photogenerated α,n-didehydrotoluenes and as well, the polar effect in reactions with substituted benzyl radicals with carbon tetrachloride.
Molecular Weight:	243.95
Molecular Formula:	C8H6Cl4
Canonical SMILES:	C1=CC(=CC=C1CC(Cl)(Cl)Cl)Cl
InChI:	InChI=1S/C8H6Cl4/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2
InChI Key:	JBAZZQADYIIBMU-UHFFFAOYSA-N
Solubility:	Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Sligh
Appearance:	Off-White to Light Green Solid
Storage:	-20°C Freezer
References:	Pedroli, C., et al. J. Org. Chem., 82, 6592-6603 (2017); Dneprovskii, A.S., et al. Russ. J. Organ. Chem., 35, 1495-98 (1999).

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.919411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.922361
Rotatable Bond Count:	1
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8