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Merck

87884

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

suitable for 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
UNSPSC Code:
23151817
NACRES:
NA.21
PubChem Substance ID:
329769613
MDL number:
MFCD03453260
Beilstein/REAXYS Number:
8913051
Assay:
≥99.0% (HPLC)
Form:
powder

Key Documents

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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+

SMILES string

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

InChI key

OIASAVWSBWJWBR-UKTHLTGXSA-N

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)

suitability

suitable for matrix substance for MALDI-MS

Quality Level

100

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Related Categories

Other Notes

Used as matrix for MALDI-MS

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Deleterious substance

pdsc

87884-1G-F:4548173215709 + 87884-BULK-F: + 87884-250MG-F:4548173215716 + 87884-VAR-F:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC5286V

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L. Ulmer et al.,
Eur. J. Mass Spectrom., 6, 49-49 (2000)
Tomomi Iura et al.
Rapid communications in mass spectrometry : RCM, 29(2), 155-162 (2015-02-03)
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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