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. : | 22062-55-1 | MDL No. : | MFCD03701062 |
Formula : | C8H8ClF | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | MTKSHHODKOMICW-UHFFFAOYSA-N |
M.W : | 158.60 | Pubchem ID : | 20511795 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 41.13 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
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) : | -5.29 cm/s |
Log Po/w (iLOGP) : | 2.2 |
Log Po/w (XLOGP3) : | 2.78 |
Log Po/w (WLOGP) : | 3.14 |
Log Po/w (MLOGP) : | 3.68 |
Log Po/w (SILICOS-IT) : | 3.67 |
Consensus Log Po/w : | 3.09 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.95 |
Solubility : | 0.177 mg/ml ; 0.00112 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.44 |
Solubility : | 0.581 mg/ml ; 0.00366 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.07 |
Solubility : | 0.0134 mg/ml ; 0.0000847 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.46 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P303+P361+P353-P305+P351+P338-P310 | UN#: | 1760 |
Hazard Statements: | H314-H227 | 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 |
---|---|---|
With hydrogenchloride |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Rk. mit Triethylphosphit --> 2-Methyl-5-fluor-benzyl-phosphonsaeure-diethylester; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 2: (i) NaH, (ii) /BRN= 3120099/ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethanol; water; 4-methyl-2-pentanone | V Example V Example V To a stirred and refluxing mixture of 71 parts of sodium cyanide, 99 parts of ethanol and 85 parts of water is added dropwise a solution of 134 parts of 2-(chloromethyl)-4-fluoro-1-methylbenzene in 99 parts of ethanol. Upon completion, stirring is continued first for 6 hours at reflux and further overnight at room temperature. The ethanol is evaporated and the residue is taken up in 4-methyl-2-pentanone and water. The layers are separated and the aqueous phase is extracted three times with 4-methyl-2-pentanone. The combined organic phases are washed twice with water, dried, filtered and evaporated. The residue is distilled, yielding 98 parts of 5-fluoro-2-methylbenzeneacetonitrile; bp. 124°-128° C. at 10 mm. pressure. |