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About This Item
Empirical Formula (Hill Notation):
C8H5NO2
CAS Number:
Molecular Weight:
147.13
EC Number:
201-603-3
UNSPSC Code:
41116107
PubChem Substance ID:
Beilstein/REAXYS Number:
118522
MDL number:
grade
analytical standard
Quality Level
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
mp
232-235 °C (lit.)
application(s)
agriculture
environmental
format
neat
SMILES string
O=C1NC(=O)c2ccccc12
InChI
1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChI key
XKJCHHZQLQNZHY-UHFFFAOYSA-N
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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.
Other Notes
Ion Mobility: TWCCSN2 value of 124.9 Å2 [M+H]+ and 124.0 Å2 [M-H]-
The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.
TWCCS measurements are expected to be within 2% of this reference value.
P/N 36734 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.
The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.
TWCCS measurements are expected to be within 2% of this reference value.
P/N 36734 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
302.0 °F - closed cup
flash_point_c
150 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
危险化学品
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Ioannis Fitilis et al.
The journal of physical chemistry. A, 112(21), 4742-4748 (2008-05-08)
Two photon absorption (TPA) and photophysical properties of three new symmetrical chromophores with electron accepting phthalimide edge substituents have been studied. The three chromophores contain fluorene, alcoxy-substituted divinyl benzene, and carbazole moieties as central cores, respectively. The femtosecond time-resolved fluorescence
Sarala Balachandran et al.
Bioorganic & medicinal chemistry letters, 19(16), 4773-4776 (2009-07-14)
A series of novel 1,2,4-oxadiazole, phthalimide, amide and other derivatives of ISO-1 were synthesized and probed for inhibition of macrophage migration inhibitory factor (MIF) activity. Several compounds inhibited MIF enzymatic activity at levels better than ISO-1. Of note, compounds 7
Stanton Hon Lung Kok et al.
Bioorganic & medicinal chemistry, 16(7), 3626-3631 (2008-02-26)
Phthalic anhydride is a highly toxic substance, facing, however, the problem of hydrolysis. In fact, it is rapidly hydrolyzed in aqueous medium, generating phthalic acid as the final product, which is almost harmless to viable cells. Here we describe the
Abhishek A Kantak et al.
Journal of the American Chemical Society, 133(49), 19960-19965 (2011-10-21)
The development of a novel intermolecular oxidative amination reaction, a synthetic transformation that involves the simultaneous functionalization of both a N-H and C-H bond, is described. The process, which is mediated by an I(III) oxidant and contains no metal catalysts
Baocun Zhu et al.
Organic & biomolecular chemistry, 8(7), 1650-1654 (2010-03-20)
A highly selective ratiometric fluorescent probe, which contains an aminonaphthalimide fluorophore and a self-immolative spacer for 1,4-dithiothreitol (DTT) detection was designed and synthesized. The probe displays a 66 nm red-shift of fluorescence emission and the color changes from colorless to
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