T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL&
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T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL&
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CAS No:
300364-84-5
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Formula:
C17H18N2
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Chemical Name:
T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL&
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Synonyms:
trans-2-[3-(4-tert-Butylphenyl)-2-Methyl-2-propenylidene]Malononitrile >=98%;trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile;T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL&;T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYLIDENE)MALONONITRILE
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CAS No:
Description
Trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile is a dinitrile that is tert-butylbenzene in which the hydrogen at the para- position is substituted by a 4,4-dicyano-2-methylbuta-1,3-dien-1-yl group (the trans isomer). It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. It has a role as a MALDI matrix material.
Characteristics
47.58000
4.01
1.0±0.1 g/cm3
123-126 °C
392.5±37.0 °C at 760 mmHg
176.5±20.4 °C
1.560
Safety Information
III
6.1
3439
3
20/21/22
36
Xn
P280
H302-H312-H332
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL& Use and Manufacturing
Synthetic Polymer MALDI Matrix Compounds
Computed Properties
Molecular Weight:250.34
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:250.146998583
Monoisotopic Mass:250.146998583
Topological Polar Surface Area:47.6
Heavy Atom Count:19
Complexity:444
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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T-2-(3-(4-T-BU.-PHENYL)-2-ME-2-PROPENYL&
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