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

Base Information

• Chemical Name: trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile
• CAS No.: 300364-84-5
• Molecular Formula: C17H18N2
• Molecular Weight: 250.33800
• Hs Code.: 2926909090
• European Community (EC) Number: 627-251-4
• Nikkaji Number: J1.651.183H
• Wikidata: Q27133227
• Metabolomics Workbench ID: 63336
• Mol file: 300364-84-5.mol

Synonyms:trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile;300364-84-5;DCTB;2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile;trans-2-[3-(4-t-butylphenyl)-2-methyl-2-propenylidene]malononitrile;(2E)-2-[3-(4-tert-butylphenyl)-2-methylprop-2-en-1-ylidene]malononitrile;[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-en-1-ylidene]propanedinitrile;SCHEMBL301782;SCHEMBL483410;CHEBI:64343;MFCD03453260;BS-23842;B3635;CS-0450575;T70731;J-017741;Q27133227;(E)-2-(3-(4-(tert-butyl)phenyl)-2-methylallylidene)malononitrile;Trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene] malononitrile;trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile, >=98%;trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile, matrix substance for MALDI-MS, >=99.0% (HPLC)

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

Chemical Property:

• Melting Point: 123-126oC
• Boiling Point: 392.5±37.0 °C(Predicted)
• PSA: 47.58000
• Density: 1.029±0.06 g/cm3(Predicted)
• LogP: 4.36096
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.146998583
• Heavy Atom Count: 19
• Complexity: 444

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)C(C)(C)C)/C=C(C#N)C#N
• Uses: trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile is a useful compound with applications in drug delivery.