36734

Phthalimide

PESTANAL^®, analytical standard

• Synonym(s): 1,3-Dihydro-1,3-dioxoisoindole
• Empirical Formula (Hill Notation): C₈H₅NO₂
• CAS Number: 85-41-6
• Molecular Weight: 147.13
• Beilstein/REAXYS Number: 118522
• EC Number: 201-603-3
• MDL number: MFCD00005881
• UNSPSC Code: 41116107
• PubChem Substance ID: 329755482

Properties

• grade: analytical standard
• Quality Level: 100
• 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

Description

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: ^TWCCS_N2 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.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: 302.0 °F - closed cup
• flash_point_c: 150 °C - closed cup
• ppe: Eyeshields, Gloves, type N95 (US)