2-Bromobenzophenone - CAS 13047-06-8

Name: 2-Bromobenzophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007113
Product Name:	2-Bromobenzophenone
CAS:	13047-06-8
Synonyms:	(2-bromophenyl)-phenylmethanone

Technical Data

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Computed Properties

IUPAC Name:	(2-bromophenyl)-phenylmethanone
Description:	2-Bromobenzophenone (CAS# 13047-06-8) is a useful research chemical.
Molecular Weight:	261.11
Molecular Formula:	C13H9BrO
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br
InChI:	InChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChI Key:	ABEVIHIQUUXDMS-UHFFFAOYSA-N
Boiling Point:	345 °C
Density:	1.421 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00032462
LogP:	3.68010

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H335 (12.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (92.68%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22685432	20120101	Triarylmethanes, a new class of cx50 inhibitors	Frontiers in pharmacology
17999531	20071207	Photoinduced C-Br homolysis of 2-bromobenzophenones and Pschorr ring closure of 2-aroylaryl radicals to fluorenones	The Journal of organic chemistry

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.98368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4