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Merck
CN

240079

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
EC Number:
202-978-6
UNSPSC Code:
12352100
PubChem Substance ID:
24854401
Beilstein/REAXYS Number:
1904982
MDL number:
MFCD00004781

Key Documents

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InChI key

CZZYITDELCSZES-UHFFFAOYSA-N

InChI

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

SMILES string

C(c1ccccc1)c2ccccc2

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.)

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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.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

266.0 °F

flash_point_c

130 °C

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
01714EP
00413BE
12221CQ
10307CQ
17125KZ

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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
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
Louis S Chupak et al.
The Journal of organic chemistry, 74(3), 1388-1390 (2008-12-23)
Herein described is an operationally simple procedure for generating benzyl indium species from readily available benzyl bromides and indium metal followed by in situ palladium-catalyzed coupling with aryl halides. The procedure provides diarylmethanes in modest to excellent yield and tolerates
Nathan R Pillsbury et al.
The Journal of chemical physics, 129(11), 114301-114301 (2008-12-03)
Laser-induced fluorescence, resonant two-photon ionization, UV-UV hole burning, UV depletion, and single vibronic level fluorescence (SVLF) spectra of jet-cooled diphenylmethane (DPM) have been recorded over the 37 300-38 400 cm(-1) region that encompasses the S(1)<--S(0) and S(2)<--S(0) transitions. All transitions
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