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. : | 137654-46-7 | MDL No. : | MFCD00024832 |
Formula : | C8H7FO4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LLQSKDZICCVCEB-UHFFFAOYSA-N |
M.W : | 218.20 | Pubchem ID : | 4114764 |
Synonyms : |
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Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.12 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 46.06 |
TPSA : | 68.82 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) : | -6.76 cm/s |
Log Po/w (iLOGP) : | 1.63 |
Log Po/w (XLOGP3) : | 1.22 |
Log Po/w (WLOGP) : | 2.63 |
Log Po/w (MLOGP) : | 1.27 |
Log Po/w (SILICOS-IT) : | 1.0 |
Consensus Log Po/w : | 1.55 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.08 |
Solubility : | 1.81 mg/ml ; 0.00831 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.26 |
Solubility : | 1.19 mg/ml ; 0.00546 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.69 |
Solubility : | 0.45 mg/ml ; 0.00206 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.09 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501 | UN#: | 3261 |
Hazard Statements: | H302-H335-H314 | Packing Group: | Ⅱ |
GHS Pictogram: |
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* 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 |
---|---|---|
With sodium hydroxide; fluorine 1) r.t., 2) -75 to -60 deg C, 1 h; Yield given. Multistep reaction. Yields of byproduct given; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium hydrogen difluoride; In water; acetonitrile; at 20℃; | General procedure: Arylsulfonyl chloride (commercially available from Sigma-Aldrich or synthesizedaccording to known procedures) dissolved in acetonitrile (Fisher HPLC grade,0.5-1 M) was treated with saturated potassium bifluoride aqueous solution(Sigma-Aldrich, ?5 M, 1.5-2.5 equiv). The emulsion was stirred vigorously for1-4 h before being partitioned between ethyl acetate and water. The organicsolution was collected, dried over anhydrous sodium sulfate (Na2SO4),concentrated, and purified by column chromatography, if necessary, to yieldthe desired aryl sulfonyl fluoride (33 examples, 90-100% isolated yield). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With pyridine; hydrogenchloride; potassium fluoride; water In acetonitrile at 20℃; for 20h; Electrochemical reaction; Green chemistry; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
53.1 mg | Stage #1: 2-carbomethoxyaniline With tetrafluoroboric acid; tert.-butylnitrite In ethanol; water at 0 - 20℃; for 1h; Stage #2: With 6,6'-dimethyl-2,2'-bipyridine; potassium hydrogen difluoride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; copper dichloride In acetonitrile at 20℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | With potassium phosphate; palladium diacetate; ruphos In N,N-dimethyl-formamide at 120℃; for 12h; Schlenk technique; Inert atmosphere; |