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+ |
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CAS No. : | 1897-41-2 | MDL No. : | MFCD00059583 |
Formula : | C8Cl4N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | TXRVDQMSXQKAPG-UHFFFAOYSA-N |
M.W : | 265.91 | Pubchem ID : | 74694 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 55.91 |
TPSA : | 47.58 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.76 cm/s |
Log Po/w (iLOGP) : | 1.48 |
Log Po/w (XLOGP3) : | 3.05 |
Log Po/w (WLOGP) : | 4.04 |
Log Po/w (MLOGP) : | 3.03 |
Log Po/w (SILICOS-IT) : | 4.39 |
Consensus Log Po/w : | 3.2 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.73 |
Solubility : | 0.0498 mg/ml ; 0.000187 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.72 |
Solubility : | 0.0512 mg/ml ; 0.000193 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -5.04 |
Solubility : | 0.00245 mg/ml ; 0.0000092 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.83 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P362+P364-P403+P233-P501 | UN#: | 3077 |
Hazard Statements: | H302-H315-H318-H335-H410 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With potassium fluoride In N,N-dimethyl-formamide at 110℃; for 10 h; | About 8 g (about 0.03 mol) of 1,4-dicyano-2,3,5,6-tetrachlorobenzene and about 8 g (about 0.137 mol) of KF were transferred into a flask containing about 60 mL of dry dimethyl formamide (DMF).The mixture was stirred at a temperature of about 110° C. for about ten hours. Nitrogen gas was used to blanket the mixture.The reaction mixture was poured into a beaker containing about 500 mL ice-water.The cooled mixture was then to collect the precipitate, which was washed by water and recrystallized with acetone.The recrystallized product, 1,4-dicyano-2,3,5,6-tetrafluorobenzene, was dried and measured to weigh about 5.4 g (about 90percent).The 19F NMR resonance of this product in CDCl3 was δ -128.8 (singlet).The reaction scheme (4) is illustrated below. |
[ 1897-43-4 ]
2,5-Dichloroterephthalonitrile
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[ 1953-99-7 ]
3,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile
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[ 1897-43-4 ]
2,5-Dichloroterephthalonitrile
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[ 1953-99-7 ]
3,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile
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[ 1897-43-4 ]
2,5-Dichloroterephthalonitrile
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[ 1953-99-7 ]
3,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile
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