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About This Item
Empirical Formula (Hill Notation):
C13H15N3O2
CAS Number:
Molecular Weight:
245.28
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-457-0
Beilstein/REAXYS Number:
234585
MDL number:
InChI
1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChI key
OIAGWXKSCXPNNZ-UHFFFAOYSA-N
SMILES string
CN1N(C(=O)C(NC(C)=O)=C1C)c2ccccc2
grade
analytical standard
assay
≥98.5% (HPLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
impurities
≤1.0% water
mp
200-203 °C (lit.)
application(s)
pharmaceutical
format
neat
Quality Level
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
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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María Jesús Martínez Bueno et al.
Analytical chemistry, 79(24), 9372-9384 (2007-11-16)
This paper describes an enhanced liquid chromatography-mass spectrometry (LC-MS) strategy for the analysis of a selected group of 56 organic pollutants in wastewater. This group comprises 38 pharmaceuticals and 10 of their most frequent metabolites, 6 pesticides, and 2 disinfectants.
Lu-Qi Zhang et al.
Journal of mass spectrometry : JMS, 55(3), e4497-e4497 (2020-01-10)
A multiclass and multiresidue method for screening veterinary drugs and pesticides in infant formula was developed and validated using ultrahigh-performance liquid chromatography coupled to Quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-HRMS). A total of 49 veterinary drugs and pesticides investigated belong to
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