Antiblaze V6

• CAT Number: R016757
• CAS Number: 38051-10-4
• Molecular Formula: C13H24Cl6O8P2
• Molecular Weight: 582.975
• Purity: ≥95%
• Synonyms: P,P’-[2,2-bis(chloromethyl)-1,3-propanediyl] Phosphoric Acid P,P,P’,P’-tetrakis(2-chloroethyl) Ester; 2,2-bis(Chloromethyl)-1,3-propanediyl tetrakis(2-chloroethyl) Ester Phosphoric Acid; bis(2-Chloroethyl) Ester Phosphoric Acid Diester with 2,2-bis(C
• Storage: -20°C
• IUPAC Name: [2-[bis(2-chloroethoxy)phosphoryloxymethyl]-3-chloro-2-(chloromethyl)propyl] bis(2-chloroethyl) phosphate
• InChI: InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2
• InChIKey: ZGHUDSLVQAGWEY-UHFFFAOYSA-N
• SMILES: C(CCl)OP(=O)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl

Antiblaze V6(CAS: 38051-10-4) is a chemical flame retardant.

Reference

1. J Mass Spectrom. 2015 Aug;50(8):1031-1038. doi: 10.1002/jms.3618.
Identification strategies for flame retardants employing time-of-flight mass spectrometric detectors along with spectral and spectra-less databases.
Ionas AC(1)(2), Ballesteros Gómez A(2), Leonards PE(2), Covaci A(1).
Author information: (1)Toxicological Centre, University of Antwerp, Universiteitsplein 1, Wilrijk, 2610, Belgium. (2)Institute for Environmental Studies, VU University Amsterdam, de Boelelaan 1085, Amsterdam, 1081 HV, The Netherlands.
In the past, the preferred strategy for the identification of unknown compounds was to search in an appropriate mass spectral database for spectra obtained using either electron ionisation (GC-MS analyses) or collision-induced dissociation (LC-MS/MS analyses). Recently, an increase has been seen in the use of accurate mass instruments and spectra-less databases, based on monoisotopic accurate mass alone. In this article, we describe a systematic workflow for the screening and identification of new flame retardants. This approach utilises LC-quadrupole-time-of-flight MS and spectra-less databases based only on monoisotopic accurate mass for the identification of 'unknowns'. An in-house database was built, and the input parameters used in the data analysis process were optimised for flame retardant chemicals, so that it can be easily transferred to other laboratories. The procedure was successfully applied to dust, foam and textiles from car interiors and indoor consumer products. The developed method was demonstrated for the main new flame retardant present in Antiblaze V6 and for the three unreported reaction by-products/impurities present in the same technical mixture. Copyright © 2015 John Wiley & Sons, Ltd.
Copyright © 2015 John Wiley & Sons, Ltd.
DOI: 10.1002/jms.3618 PMID: 28338271