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. : | 2040-90-6 | MDL No. : | MFCD01631574 |
Formula : | C6H4ClFO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QIAQIYQASAWZPP-UHFFFAOYSA-N |
M.W : | 146.55 | Pubchem ID : | 2773710 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 33.43 |
TPSA : | 20.23 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) : | -5.62 cm/s |
Log Po/w (iLOGP) : | 1.67 |
Log Po/w (XLOGP3) : | 2.22 |
Log Po/w (WLOGP) : | 2.6 |
Log Po/w (MLOGP) : | 2.51 |
Log Po/w (SILICOS-IT) : | 2.45 |
Consensus Log Po/w : | 2.29 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.64 |
Solubility : | 0.335 mg/ml ; 0.00229 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.28 |
Solubility : | 0.77 mg/ml ; 0.00525 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.7 |
Solubility : | 0.295 mg/ml ; 0.00201 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.42 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P501-P273-P272-P260-P270-P202-P201-P264-P280-P391-P308+P313-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 | UN#: | 1759 |
Hazard Statements: | H302-H314-H361-H317-H340-H411 | 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 |
---|---|---|
94% | With potassium carbonate In tetrahydrofuran at 20℃; for 3 h; | Methyl iodide (850μl, 13.646mmol) and potassium carbonate (943mg, 6.824mmol) were added to 2-chloro-6-fluorophenol (1.0g, 6.824mmol) in tetrahydrofuran (10ml) and the mixture was stirred at room temperature for 3 hours. The reaction mixture was partitioned between diethyl ether (50ml) and water (50ml). The organic phase was extracted and further washed with water (2 x 20ml) then dried over sodium sulphate and concentrated in vacuo to afford the title compound as a colourless liquid in 94percent yield, 1.03g.1HNMR(400MHz, CD3OD) δ: 3.90-3.91(s, 3H), 7.01-7.12(m, 2H), 7.18-7.21 (m, 1H) |