45458
二苯砜
PESTANAL®, analytical standard
别名:
苯基砜
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线性分子式:
(C6H5)2SO2
化学文摘社编号:
分子量:
218.27
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
204-853-1
Beilstein/REAXYS Number:
1910573
MDL number:
产品名称
二苯砜, PESTANAL®, analytical standard
InChI key
KZTYYGOKRVBIMI-UHFFFAOYSA-N
InChI
1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
SMILES string
O=S(=O)(c1ccccc1)c2ccccc2
grade
analytical standard
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
bp
379 °C (lit.)
mp
123-129 °C (lit.)
application(s)
agriculture
environmental
format
neat
Quality Level
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Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
General description
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
363.2 °F
flash_point_c
184 °C
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Charles W Locuson et al.
Journal of medicinal chemistry, 50(6), 1158-1165 (2007-02-22)
Several laboratories have demonstrated that activation of drug metabolism by P450s may occur via a mechanism that resembles allosterism from an enzyme kinetic standpoint. Because the effector drug binding site may be located in the same P450 binding pocket where
Anita Toulmin et al.
Journal of medicinal chemistry, 51(13), 3720-3730 (2008-06-19)
Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the partitioning systems are not well represented in the literature
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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