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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
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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

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.

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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
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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