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. : | 368-72-9 | MDL No. : | MFCD00007669 |
Formula : | C6H5ClFNO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | HNZYBSQZUOJCDN-UHFFFAOYSA-N |
M.W : | 209.63 | Pubchem ID : | 97383 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 44.19 |
TPSA : | 68.54 Ų |
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) : | -6.11 cm/s |
Log Po/w (iLOGP) : | 1.22 |
Log Po/w (XLOGP3) : | 2.07 |
Log Po/w (WLOGP) : | 3.09 |
Log Po/w (MLOGP) : | 1.34 |
Log Po/w (SILICOS-IT) : | 1.08 |
Consensus Log Po/w : | 1.76 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.75 |
Solubility : | 0.375 mg/ml ; 0.00179 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.14 |
Solubility : | 0.152 mg/ml ; 0.000727 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.87 |
Solubility : | 0.286 mg/ml ; 0.00136 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.93 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P264-P270-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P332+P313-P362-P405-P501 | UN#: | 3261 |
Hazard Statements: | H302-H315-H314 | Packing Group: | Ⅱ |
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 |
---|---|---|
3-Nitro-4-chlor-benzolsulfonylfluorid, H2/Raney-Ni/A.; | ||
from reduction of corresponding nitro compound in Zn/HCl; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; tin | ||
With hydrogenchloride; tin |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With phosphorus trichloride In 5,5-dimethyl-1,3-cyclohexadiene for 1h; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: phosphorus trichloride / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux 2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / acetonitrile / 2 h / 50 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: phosphorus trichloride / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux 2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / acetonitrile / 2 h / 50 °C 3: trifluoroacetic acid / dichloromethane; water / 0.5 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: phosphorus trichloride / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux 2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / acetonitrile / 2 h / 50 °C 3: trifluoroacetic acid / dichloromethane; water / 0.5 h / 20 °C 4: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 1 h / 20 °C |
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