Phthalimide
SIAL/36734 - PESTANAL®, analytical standard
Synonym: 1,3-
CAS Number: 85-41-6
Empirical Formula (Hill Notation): C8H5NO2
Molecular Weight: 147.13
EC Number: 201-603-3
MDL Number: MFCD00005881
Linear Formula: C8H5NO2
Product Type: Chemical
application(s) | agriculture environmental |
format | neat |
grade | analytical standard |
InChI | 1S/C8H5NO2/c10-7-5-3-1-2- |
InChI key | XKJCHHZQLQNZHY-UHFFFAOYSA |
mp | 232-235 °C (lit.) |
product line | PESTANAL® |
Quality Level | 100 ![]() |
shelf life | limited shelf life, expiry date on the label |
SMILES string | O=C1NC(=O)c2ccccc12 |
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 Sigma-Aldrich International GmbH |
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 ![]() ![]() ![]() ![]() 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. ![]() ![]() |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 1 |
Flash Point(F) | 302.0 °F - closed cup |
Flash Point(C) | 150 °C - closed cup |
mp | 232-235 °C (lit.) |
UNSPSC | 41116107 |