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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
Halis Türker Balaydin et al.
Journal of enzyme inhibition and medicinal chemistry, 25(5), 685-695 (2010-02-02)
Bromination of bis(3,4-dimethoxyphenyl)methanone (5) gave four products (6-9) with mono, di, tri, and tetra Br under different conditions. Reduction and demethylation reactions of product 9 with tetra Br were performed, consecutively and a natural product, 5,5'-methylene bis(3,4-dibrombenzene-1,2-diol) (1), was obtained
Amarajothi Dhakshinamoorthy et al.
Dalton transactions (Cambridge, England : 2003), 40(40), 10719-10724 (2011-09-01)
Three MIL-100 (Fe) samples differing in average crystal size (from 60-70 to >400 nm) have been synthesized by microwave heating using three HF/Fe(3+) ratios. Oxidation of diphenylmethane with tert-butylhydroperoxide (TBHP) and thiophenol with oxygen are catalyzed by three MIL-100 (Fe)
S G Bell et al.
Protein engineering, 14(10), 797-802 (2001-12-12)
The protein engineering of CYP enzymes for structure-activity studies and the oxidation of unnatural substrates for biotechnological applications will be greatly facilitated by the availability of functional, whole-cell systems for substrate oxidation. We report the construction of a tricistronic plasmid
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