3'-Chloro-2-bromopropiophenone - CAS 34911-51-8

Name: 3'-Chloro-2-bromopropiophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022357
Product Name:	3'-Chloro-2-bromopropiophenone
CAS:	34911-51-8
Synonyms:	2-Bromo-3'-chloropropiophenone; 2-Bromo-1-(3-chlorophenyl)-1-propanone; Propiophenone, 2-bromo-3'-chloro-; α-Bromo-3-chloropropiophenone; α-Bromo-m-chloropropiophenone

Technical Data

IUPAC Name:	2-bromo-1-(3-chlorophenyl)propan-1-one
Molecular Weight:	247.52
Molecular Formula:	C9H8BrClO
Canonical SMILES:	CC(C(=O)C1=CC(=CC=C1)Cl)Br
InChI:	InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
InChI Key:	OFNMQTRHMBQQEA-UHFFFAOYSA-N
Boiling Point:	125 °C at 3.5 Torr
Purity:	>95%
Density:	1.5316 g/cm3
Solubility:	Soluble in Acetonitrile, Chloroform, Ethyl Acetate, Methylene Chloride
Appearance:	Colorless to light yellow liquid
Storage:	Store at 2-8°C, under inert atmosphere
MDL:	MFCD03701150
LogP:	3.30610

GHS Hazard Statement:	H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

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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 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7