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. : | 148-01-6 | MDL No. : | MFCD00072065 |
Formula : | C8H7N3O5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZEFNOZRLAWVAQF-UHFFFAOYSA-N |
M.W : | 225.16 | Pubchem ID : | 3092 |
Synonyms : |
Dinitolmide;Zoalene;HSDB7192;Dinitrotoluamide
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.12 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 57.15 |
TPSA : | 134.73 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.19 cm/s |
Log Po/w (iLOGP) : | 0.27 |
Log Po/w (XLOGP3) : | 0.68 |
Log Po/w (WLOGP) : | 0.91 |
Log Po/w (MLOGP) : | -0.49 |
Log Po/w (SILICOS-IT) : | -2.77 |
Consensus Log Po/w : | -0.28 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.74 |
Solubility : | 4.06 mg/ml ; 0.018 mol/l |
Class : | Very soluble |
Log S (Ali) : | -3.09 |
Solubility : | 0.185 mg/ml ; 0.00082 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.14 |
Solubility : | 16.2 mg/ml ; 0.0718 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.19 |
Signal Word: | Danger | Class: | 4.1 |
Precautionary Statements: | P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 | UN#: | 1325 |
Hazard Statements: | H315-H319-H228 | 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 |
---|---|---|
85.9% | at 40℃; for 0.5 h; Large scale | Step C ammoniated process of the present invention is as follows: in the pot by adding 400L ammoniated concentrated aqueous ammonia and ammonium bicarbonate 15kg, stirring the prepared solution of the acid chloride was added dropwise slowly ammoniated pan, cooled with chilled brine, dropping control to control the reaction temperature below 40 , stirring was continued for 30 minutes after completion of the addition, for 1 to 2 hours, filtration, the product was sufficiently washed with cold water, drying, 3,5-dinitro - o - methyl benzamide 102.6kg, a yield of 85.9percent (with respect to the nitro compounds) content of 98.5percent.The present invention Buju C, set the ammonia recovery process reuse. |