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. : | 31127-39-6 | MDL No. : | MFCD00862517 |
Formula : | C9H9NO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 179.17 g/mol | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 46.69 |
TPSA : | 51.05 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) : | -6.53 cm/s |
Log Po/w (iLOGP) : | 1.88 |
Log Po/w (XLOGP3) : | 1.21 |
Log Po/w (WLOGP) : | 1.27 |
Log Po/w (MLOGP) : | 0.4 |
Log Po/w (SILICOS-IT) : | 1.96 |
Consensus Log Po/w : | 1.34 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.99 |
Solubility : | 1.84 mg/ml ; 0.0103 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.88 |
Solubility : | 2.37 mg/ml ; 0.0132 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.95 |
Solubility : | 2.03 mg/ml ; 0.0113 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 3.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.36 |
Signal Word: | Danger | Class: | 4.1,6.1 |
Precautionary Statements: | P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 | UN#: | 2926 |
Hazard Statements: | H228-H301+H311+H331-H315-H319 | Packing Group: | Ⅲ |
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 |
---|---|---|
98% | With hydroxylamine hydrochloride; sodium hydroxide In ethanol at 80℃; for 4 h; Inert atmosphere | General procedure: To a suspension of aldehyde (30/35 mmol) in ethanol (50 mL) was added NH2OH*HCl (2 eq) and NaOH pellets (1.8 eq). The suspension was stirred at 80 C for 4 h and concentrated in vacuo. The crude product was extracted in EtOAc (200 mL). The organic layer was washed with 1 N HCl (2 200 mL), water (4 200 mL), dried (MgSO4) and concentrated in vacuo. If TLC showed impurities, the solid was washed with a minimum of cold Et2O to afford the aldoxime as a white powder. |
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