4-Chloro-3-nitrobenzophenone - CAS 56107-02-9

Name: 4-Chloro-3-nitrobenzophenone
Brand: BOC Sciences
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Catalog:	BB029258
Product Name:	4-Chloro-3-nitrobenzophenone
CAS:	56107-02-9
Synonyms:	(4-chloro-3-nitrophenyl)-phenylmethanone; (4-chloro-3-nitrophenyl)-phenylmethanone

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-3-nitrophenyl)-phenylmethanone
Description:	4-Chloro-3-nitrobenzophenone (CAS# 56107-02-9) is a useful starting material for organic synthesis.
Molecular Weight:	261.66
Molecular Formula:	C13H8ClNO3
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
InChI Key:	YBDBYPQFIMSFJW-UHFFFAOYSA-N
Boiling Point:	235 °C
Density:	1.367 g/cm³
MDL:	MFCD00007081
LogP:	4.00240

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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

Publication Number	Title	Priority Date
WO-2021099803-A1	Compounds for use in the treatment of acute intermittent porphyria	20191121
CN-110938007-A	Dicofol hapten, artificial antigen, antibody, synthetic method and application thereof	20191101
CN-109776414-A	A kind of Bcl-2 protein inhibitor and its preparation method and application	20190102
CN-109467512-A	A kind of synthetic method of 3,4- diamino-benzophenone	20181218
CN-109467512-B	Synthetic method of 3, 4-diamino-benzophenone	20181218

PMID	Publication Date	Title	Journal
20016836	20091216	Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity	PloS one
11459640	20010723	Nitrobenzene compounds inhibit expression of VCAM-1	Bioorganic & medicinal chemistry letters

Complexity:	323
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.0192708
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.0192708
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6