2-Bromo-2'-chloropropiophenone - CAS 75815-22-4

Name: 2-Bromo-2'-chloropropiophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035407
Product Name:	2-Bromo-2'-chloropropiophenone
CAS:	75815-22-4
Synonyms:	2-bromo-1-(2-chlorophenyl)-1-propanone; 2-bromo-1-(2-chlorophenyl)propan-1-one

Technical Data

IUPAC Name:	2-bromo-1-(2-chlorophenyl)propan-1-one
Description:	2-Bromo-2'-chloropropiophenone (CAS# 75815-22-4) is used as a reagent in the synthesis of 2-(tert-Butylamino)-3',4'-dichloropropiophenone Hydrochloride (B690685); an impurity of Bupropion (B689625, HCl) which has inhibitory effects on monoamine uptake and antagonizes the effects of human α3β4, α4β2, α4β4, and α1 nicotinic acetylcholine receptors (nAChRs).
Molecular Weight:	247.52
Molecular Formula:	C9H8BrClO
Canonical SMILES:	CC(C(=O)C1=CC=CC=C1Cl)Br
InChI:	InChI=1S/C9H8BrClO/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChI Key:	QXBPNBFQCNGDTQ-UHFFFAOYSA-N
Boiling Point:	259.5 °C at 760 mmHg
Density:	1.518 g/cm³
LogP:	3.30610

Publication Number	Title	Priority Date
TW-202003471-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321
WO-2019183367-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180321
AU-2019240299-A1	SHP2 phosphatase inhibitors and methods of use thereof	20180321
BR-112020019385-A2	SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE OF THE SAME	20180321
CN-112166110-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.94471
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.94471
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3