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. : | 19225-92-4 | MDL No. : | MFCD00234119 |
Formula : | C5H7ClN2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VYEGAEUUQMJXTM-UHFFFAOYSA-N |
M.W : | 130.58 | Pubchem ID : | 736536 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.4 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 33.25 |
TPSA : | 17.82 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) : | -6.78 cm/s |
Log Po/w (iLOGP) : | 1.41 |
Log Po/w (XLOGP3) : | 0.44 |
Log Po/w (WLOGP) : | 1.01 |
Log Po/w (MLOGP) : | 0.32 |
Log Po/w (SILICOS-IT) : | 1.31 |
Consensus Log Po/w : | 0.9 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.32 |
Solubility : | 6.2 mg/ml ; 0.0475 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.38 |
Solubility : | 54.2 mg/ml ; 0.415 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.78 |
Solubility : | 2.16 mg/ml ; 0.0166 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.51 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501 | UN#: | 3261 |
Hazard Statements: | H302-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 |
---|---|---|
100% | at 0 - 70℃; for 20 h; | To 1.12 g of 1-methyl-2-imidazolemethanol are added dropwise 1.8 ml of thionyl chloride at 0° C. After 18 hours at 20° C., the mixture is heated at 70° C. for 2 hours. The reaction medium is concentrated to give the expected product quantitatively. 1H NMR δ in ppm (DMSO d6): 3.90 (s, 3H); 5.22 (s, 2H); 5.36 (t, 1H); 7.77 (d, 1H); 7.80 (d, 1H). |
67% | With thionyl chloride In chloroform for 3 h; Heating / reflux | ^-ChloromethyM-methyl-I H-imidazole] (14)To a solution of compound 13 (250 mg, 2.23 mmol) in chloroform (5 mL) was added thionyl chloride (500 mg, 4.20 mmol) and refluxed for 3 h. The reaction mixture was allowed to come to room temperature and concentrated. The reaction mixture was diluted with diethyl ether (30 mL) and concentrated. The crude product 14 (200 mg, 67percent) was characterized by GC-MS and it was used as such for the next step. |
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