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[ CAS No. 2377-81-3 ] {[proInfo.proName]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 2377-81-3
Chemical Structure| 2377-81-3
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Product Citations

Product Citations

Lienhart, Gavan W ; Palisin, Thomas ; Gross, William , et al. DOI:

Abstract: The separation of (PET) comonomers produced from the chemical recycling and depolymerization of PET is a critical step in realizing polyester material circularity. Various grades of PET (e.g., fiber, bottle, tire-cord) each require precise degrees of crystallinity which is controlled by the introduction of isomeric phthalates, comonomers which then contaminate secondary monomer streams. The use of supramolecular interactions as a method of extracting and separating these comonomers is herein described. The binding constants (Kb) between various-sized cyclodextrins with / and bis-2-hydroxyethyl terephthalate/bis-2-hydroxyethyl isophthalate are measured by fluorescence quenching and titration measurements. It is shown that betacyclodextrins most favorably bind the monomers (Kb up to 830 M?1) and that methyl ester comonomers bind more strongly than the glycolysis products. Competitive binding measurements between isomeric aromatic esters indicate binds (Kb = 328 M?1) 6-times more strongly than the (Kb = 55 M?1). Crosslinking of the cyclodextrins with diisocyanate or perfluorinated bis-cyanobenzene moieties resulted in particles that could effectively remove the monomers from depolymerization solutions (up to 0.6 mmol of monomer per gram of particle). The results suggest supramolecular extraction and separation may be a scalable means of improving the purity and atom recovery of secondary recycled polyester feedstocks.

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Product Details of [ 2377-81-3 ]

CAS No. :2377-81-3 MDL No. :MFCD00013290
Formula : C8F4N2 Boiling Point : -
Linear Structure Formula :- InChI Key :WVHMPQKZPHOCRD-UHFFFAOYSA-N
M.W : 200.09 Pubchem ID :608182
Synonyms :

Calculated chemistry of [ 2377-81-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.7
TPSA : 47.58 ?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) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.09
Log Po/w (XLOGP3) : 1.76
Log Po/w (WLOGP) : 3.67
Log Po/w (MLOGP) : 2.46
Log Po/w (SILICOS-IT) : 3.51
Consensus Log Po/w : 2.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.51
Solubility : 0.623 mg/ml ; 0.00312 mol/l
Class : Soluble
Log S (Ali) : -2.38
Solubility : 0.84 mg/ml ; 0.0042 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.69
Solubility : 0.0407 mg/ml ; 0.000203 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.95

Safety of [ 2377-81-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 UN#:2811
Hazard Statements:H301+H311+H331-H315-H319 Packing Group:Ⅲ
GHS Pictogram:
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