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240079

Sigma-Aldrich

Diphenylmethane

≥99%

Synonym(s):

Benzylbenzene, Methylenedibenzene

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About This Item

Linear Formula:
(C6H5)2CH2
CAS Number:
101-81-5
Molecular Weight:
168.23
Beilstein:
1904982
EC Number:
202-978-6
MDL number:
MFCD00004781
UNSPSC Code:
12352100
PubChem Substance ID:
24854401

vapor density

5.79 (vs air)

vapor pressure

<1 mmHg ( 77 °C)

Assay

≥99%

autoignition temp.

905 °F

refractive index

n20/D 1.577 (lit.)

bp

264 °C (lit.)

mp

22-24 °C (lit.)

solubility

alcohol: freely soluble(lit.)
benzene: freely soluble(lit.)
chloroform: freely soluble(lit.)
diethyl ether: freely soluble(lit.)
hexane: freely soluble(lit.)
insoluble (liquid ammonia)(lit.)

density

1.006 g/mL at 25 °C (lit.)

SMILES string

C(c1ccccc1)c2ccccc2

InChI

1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

InChI key

CZZYITDELCSZES-UHFFFAOYSA-N

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General description

Diphenylmethane skeleton acted as a surrogate for a steroid skeleton.

Application

Diphenylmethane (Benzylbenzene) derivatives were used as estrogen receptor (ER) agonists and antagonists.

replaced by

Product No.
Description
Pricing

D209317

Diphenylmethane, 99%

Pictograms

Environment
GHS09

Signal Word

Warning

Hazard Statements

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

266.0 °F

Flash Point(C)

130 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Keisuke Maruyama et al.
Bioorganic & medicinal chemistry letters, 23(14), 4031-4036 (2013-06-19)
Our multi-template approach for drug discovery, focusing on protein targets with similar fold structures, has yielded lead compounds for various targets. We have also shown that a diphenylmethane skeleton can serve as a surrogate for a steroid skeleton. Here, on
Daisuke Kajita et al.
Bioorganic & medicinal chemistry, 22(7), 2244-2252 (2014-03-19)
Steroid sulfatase (STS) is a potential target for treatment of postmenopausal hormone-dependent breast cancer. Several steroidal STS inhibitors have been reported, but steroidal compounds are difficult to optimize and may interact with other targets. On the other hand, we have
Carsten Uerpmann et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 11(6), 1750-1756 (2005-01-26)
A new tetracationic triple-stranded supramolecular cylinder is prepared from a bis(pyridylimine) ligand containing a diphenylmethane and two ketimine groups in the spacer. The cylinder is longer and slightly wider than the corresponding cylinder containing just diphenylmethane spacers. Inter-strand CH...pi interactions
Jaime A Stearns et al.
The Journal of chemical physics, 129(22), 224305-224305 (2008-12-17)
Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d(12) have been obtained in S(0), S(1), and S(2) electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S(0) and S(1) states of both isotopologues have been
Ben Nebgen et al.
The Journal of chemical physics, 137(8), 084112-084112 (2012-09-04)
The theory for modeling vibronic interactions in bichromophores was introduced in sixties by Witkowski and Moffitt [J. Chem. Phys. 33, 872 (1960)] and extended by Fulton and Gouterman [J. Chem. Phys. 35, 1059 (1961)]. The present work describes extension of
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