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. : | 1501-26-4 | MDL No. : | MFCD00000756 |
Formula : | C6H9ClO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JCAZSWWHFJVFPP-UHFFFAOYSA-N |
M.W : | 164.59 | Pubchem ID : | 73916 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.67 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 37.24 |
TPSA : | 43.37 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) : | -6.4 cm/s |
Log Po/w (iLOGP) : | 1.85 |
Log Po/w (XLOGP3) : | 1.28 |
Log Po/w (WLOGP) : | 1.1 |
Log Po/w (MLOGP) : | 0.64 |
Log Po/w (SILICOS-IT) : | 1.35 |
Consensus Log Po/w : | 1.24 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.34 |
Solubility : | 7.58 mg/ml ; 0.046 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.79 |
Solubility : | 2.67 mg/ml ; 0.0162 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.73 |
Solubility : | 3.09 mg/ml ; 0.0187 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.67 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501 | UN#: | 3265 |
Hazard Statements: | H302-H312-H314-H332 | 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 |
---|---|---|
86.4% | Stage #1: for 1 h; Reflux Stage #2: With thionyl chloride In N,N-dimethyl-formamide for 2 h; |
100 g (0.878 mol) of glutaric anhydride was dissolved in 50 mL of anhydrous methanol, heated to reflux for 1 h, and then distilled under reduced pressure to remove unreacted methanol,The reaction solution was cooled to room temperature,Add 200 mL slowlyThionyl chloride and 6 drops of DMF,After heating for 2 hours, the water pump was distilled under reduced pressure, and the remaining sodium dichlorosulfoxide was removed. Then, the fraction was dried at a pressure of 96 ° C to 98 ° C / 10 mmHg to obtain 124.2 g of a pale yellow liquid in a yield of 86.4percent. |
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