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Merck
CN

84676

Benzophenone

puriss., ≥99.0% (GC)

Synonym(s):

Diphenyl ketone, Diphenylmethanone, NSC 8077

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About This Item

Linear Formula:
(C6H5)2CO
CAS Number:
119-61-9
Molecular Weight:
182.22
EC Number:
204-337-6
UNSPSC Code:
12352100
MDL number:
MFCD00003076
Beilstein/REAXYS Number:
1238185

Key Documents

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vapor pressure

1 mmHg ( 108 °C)

grade

puriss.

assay

≥99.0% (GC)

bp

305 °C (lit.)

mp

47-49 °C, 47-51 °C (lit.)

SMILES string

O=C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI key

RWCCWEUUXYIKHB-UHFFFAOYSA-N

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pictograms

Health hazard
GHS08

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Carc. 1B - STOT RE 2 Oral

target_organs

Liver,Kidney

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

280.4 °F - closed cup

flash_point_c

138 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Felipe T Martins et al.
European journal of medicinal chemistry, 44(3), 1230-1239 (2008-11-11)
We have investigated the in vitro inhibition of papain, trypsin, and cathepsins B and G by five benzophenone-type compounds, three natural ones isolated from Garcinia brasiliensis and two synthetic derivatives. The activities of pentaprenylated trihydroxy-substituted benzophenone guttiferone A (1) on
Ute F Röhrig et al.
Journal of medicinal chemistry, 53(3), 1172-1189 (2010-01-09)
Indoleamine 2,3-dioxygenase (IDO) is an important therapeutic target for the treatment of diseases such as cancer that involve pathological immune escape. We have used the evolutionary docking algorithm EADock to design new inhibitors of this enzyme. First, we investigated the
Randy M Wadkins et al.
Journal of medicinal chemistry, 48(8), 2906-2915 (2005-04-15)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of selective inhibitors of these proteins has proved problematic. Using Telik's target-related affinity profiling (TRAP)
Ashley A Reinke et al.
Bioorganic & medicinal chemistry letters, 19(17), 4952-4957 (2009-07-31)
Aggregated amyloid-beta (Abeta) peptide is implicated in the pathology of Alzheimer's disease. In vitro and in vivo, these aggregates are found in a variety of morphologies, including globular oligomers and linear fibrils, which possess distinct biological activities. However, known chemical
Markus A Lill et al.
Journal of medicinal chemistry, 48(18), 5666-5674 (2005-09-02)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis, we simulated the

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