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[ CAS No. 370865-89-7 ] {[proInfo.proName]}

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Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 370865-89-7
Chemical Structure| 370865-89-7
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Product Citations

Product Citations

Josh D. Wolfgang ; Jennifer L. Dysart ; Matthew Laskoski DOI:

Abstract: Phthalonitrile (PN) polymers are high-temperature thermosetting resins with excellent thermal and mechanical performance, but they exhibit notably long cure-times hindering their use in certain applications. Ionic liquids (ILs) and aromatic amines provide an opportunity to cure at lower temperatures and shorter times. Dicyanamide-based ILs are an interesting class of high-temperature organic salts due to their high thermal stability and –CN functionality. The addition of ionic liquid in concentrations of 10 and 20?wt% enabled a decrease of the crossover modulus by 30 and 45℃, respectively. When the samples were mixed with both 3 wt% of an amine curing additive and the ionic liquid, the temperature of the crossover modulus was decreased even more dramatically with cure temperatures up to 96℃ below that of the PN resin without additives. The differential scanning calorimetry results support the rheological findings that the ILs decrease the temperature and/or time required to cure PN resins. Herein, a dicyanamide-based ionic liquid catalyzed the curing of PN resins by lowering the gelation temperature by up to 40℃, decreased the processing viscosity by five- to eight-fold, and increased the density of the resin thermosets by nearly 3% on average.

Keywords: composite ; crosslinking ; ionic liquid ; phthalonitrile ; thermal stability

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Product Details of [ 370865-89-7 ]

CAS No. :370865-89-7 MDL No. :MFCD28145696
Formula : C8H11N5 Boiling Point : -
Linear Structure Formula :- InChI Key :MKHFCTXNDRMIDR-UHFFFAOYSA-N
M.W : 177.21 Pubchem ID :11159638
Synonyms :

Calculated chemistry of [ 370865-89-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.38
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.68
TPSA : 56.39 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.1
Log Po/w (XLOGP3) : 0.89
Log Po/w (WLOGP) : 0.65
Log Po/w (MLOGP) : -0.93
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 0.2

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.72
Solubility : 3.39 mg/ml ; 0.0191 mol/l
Class : Very soluble
Log S (Ali) : -1.66
Solubility : 3.89 mg/ml ; 0.0219 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.71
Solubility : 34.9 mg/ml ; 0.197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 370865-89-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501 UN#:2810
Hazard Statements:H301-H315-H319 Packing Group:Ⅲ
GHS Pictogram:
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