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87884

Supelco

trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile

matrix substance for MALDI-MS, ≥99.0% (HPLC)

Synonym(s):

DCTB

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About This Item

Empirical Formula (Hill Notation):
C17H18N2
CAS Number:
300364-84-5
Molecular Weight:
250.34
Beilstein:
8913051
MDL number:
MFCD03453260
UNSPSC Code:
12000000
PubChem Substance ID:
329769613
NACRES:
NA.21

grade

matrix substance for MALDI-MS

Quality Level

100

Assay

≥99.0% (HPLC)

form

powder

technique(s)

MALDI-MS: suitable

mp

123-126 °C

cation traces

Ba: ≤5 mg/kg
Ca: ≤5 mg/kg
Cd: ≤5 mg/kg
Co: ≤5 mg/kg
Cr: ≤5 mg/kg
Cu: ≤5 mg/kg
K: ≤5 mg/kg
Mg: ≤5 mg/kg
Mn: ≤5 mg/kg
Na: ≤10 mg/kg
Ni: ≤5 mg/kg
Pb: ≤5 mg/kg
Zn: ≤5 mg/kg

absorption

>2000 at 337 nm (mol. absorption)

SMILES string

CC(=C/c1ccc(cc1)C(C)(C)C)\C=C(\C#N)C#N

InChI

1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+

InChI key

OIASAVWSBWJWBR-UKTHLTGXSA-N

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Other Notes

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC5286V
BCBQ3793V
BCBQ1905V
BCBP2082V
BCBD2114V

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L. Ulmer et al.,
Eur. J. Mass Spectrom., 6, 49-49 (2000)
Tomomi Iura et al.
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Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) has been widely utilized for the structural characterization of various synthetic polymers. However, polymer sample molecules can occasionally decompose even in the MALDI process depending on the measurement conditions. In this work, the fragmentation
Matthew B Baker et al.
Nature communications, 6, 6234-6234 (2015-02-24)
The rational design of supramolecular polymers in water is imperative for their widespread use, but the design principles for these systems are not well understood. Herein, we employ a multi-scale (spatial and temporal) approach to differentiate two analogous water-soluble supramolecular
Georgios Rotas et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 20(45), 14729-14735 (2014-09-17)
Azafullerene (C59 N) was functionalized using a Mannich-type reaction and then subsequently condensed with lipoic acid to yield dithiolane-modified C59 N. In the following step, the extended dithiolane moiety from the C59 N core was utilized to decorate the azafullerene
Atanu Jana et al.
Dalton transactions (Cambridge, England : 2003), 44(1), 359-367 (2014-11-11)
A novel electron rich, tetrathiafulvalene fused zinc porphyrin, (TTF)4PZn, has been newly synthesized and characterized using spectral and electrochemical methods. In spite of the presence of eight t-butyl groups, (TTF)4PZn exhibited appreciable aggregation in solution. Scanning electron microscopic (SEM) imaging
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