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CRM96737

Supelco

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1H,3H,5H)-trione

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About This Item

Empirical Formula (Hill Notation):
C48H69N3O6
CAS Number:
27676-62-6
Molecular Weight:
784.08
MDL number:
MFCD00134700
UNSPSC Code:
41116107
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

300

product line

TraceCERT®

form

solid

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

mp

218-220 °C (lit.)

SMILES string

CC(C)(C)c1cc(CN2C(=O)N(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C(=O)N(Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C2=O)cc(c1O)C(C)(C)C

InChI

1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3

InChI key

VNQNXQYZMPJLQX-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034.
This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma aldrich.com
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Ion Mobility: TWCCSN2 value of 282.2 Å2 [M+Na]+

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 CRM96737 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Legal Information

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

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH8126
BCCD7407

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Articles

Extractables Study with LC-UV/MS

Reliable identification and quantification of unknown extractables of a single-use system (SUS) with a 21 component CRM mix for liquid chromatography (LC-UV/MS) methods using Ascentis® C18 column.

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