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2,4-Dichlorobenzoic acid

SIAL/36749 - PESTANAL®, analytical standard

CAS Number: 50-84-0
Empirical Formula (Hill Notation): C7H4Cl2O2
Molecular Weight: 191.01
EC Number: 200-067-8
MDL Number: MFCD00002414
Linear Formula: Cl2C6H3CO2H
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-36749-1G 1 g
 $40.50
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application(s) agriculture
environmental
format neat
grade analytical standard
InChI 1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI key ATCRIUVQKHMXSH-UHFFFAOYSA-N
mp 157-160 °C (lit.)
product line PESTANAL®
Quality Level 100 
shelf life limited shelf life, expiry date on the label
SMILES string OC(=O)c1ccc(Cl)cc1Cl
technique(s) gas chromatography (GC): suitable
  HPLC: suitable
Application: Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Legal Information: PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
Other Notes: Ion Mobility: TWCCSN2 value of 146.1 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 36749 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace. 
mp 157-160 °C (lit.)
UNSPSC 41116107

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