3-Chlorobenzophenone - CAS 1016-78-0

Catalog:	BB000595
Product Name:	3-Chlorobenzophenone
CAS:	1016-78-0
Synonyms:	(3-chlorophenyl)-phenylmethanone; (3-chlorophenyl)-phenylmethanone

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Computed Properties

IUPAC Name:	(3-chlorophenyl)-phenylmethanone
Description:	3-Chlorobenzophenone (CAS# 1016-78-0) is a reagent in the preparation of pharmaceuticals such as antitumor kinesin spindle protein inhibitors.
Molecular Weight:	216.66
Molecular Formula:	C13H9ClO
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
InChI:	InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChI Key:	CPLWKNRPZVNELG-UHFFFAOYSA-N
Boiling Point:	339.1 °C at 760 mmHg
Density:	1.207 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00009816
LogP:	3.57100

Publication Number	Title	Priority Date
WO-2019143057-A1	Acridine derivative and organic light-emitting diode comprising same	20180118
EP-3406599-A1	Organic electronic device comprising an organic semiconductor layer	20170523
US-2020161559-A1	Organic Electronic Device Comprising an Organic Semiconductor Layer	20170523
WO-2018215348-A1	Organic electronic device comprising an organic semiconductor layer	20170523
EP-3385270-A1	Method for producing aromatic compound, and palladium complex	20151202

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0341926
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2