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. : | 50709-35-8 | MDL No. : | MFCD00052266 |
Formula : | C6H7Cl3N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RQZTURFFWSJCMT-UHFFFAOYSA-N |
M.W : | 213.49 | Pubchem ID : | 3084937 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 50.63 |
TPSA : | 38.05 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) : | -5.32 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 3.22 |
Log Po/w (WLOGP) : | 2.89 |
Log Po/w (MLOGP) : | 2.88 |
Log Po/w (SILICOS-IT) : | 1.64 |
Consensus Log Po/w : | 2.13 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.53 |
Solubility : | 0.063 mg/ml ; 0.000295 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.69 |
Solubility : | 0.0434 mg/ml ; 0.000203 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.32 |
Solubility : | 0.102 mg/ml ; 0.00048 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.73 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 3261 |
Hazard Statements: | 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 |
---|---|---|
71% | With sodium nitrite In hydrogenchloride; water | EXAMPLE 8 Preparation of 2,5-dichlorophenylhydrazine Hydrochloride Concentrated HCl (120 ml, 32percent, 1.2 moles) was charged to a 500 ml flask under a nitrogen atmosphere and cooled down to -2 to 0° C. 2,5-Dichloroaniline (20 g, 123 mmoles) was added in one portion as a solid. The reaction mixture was re-cooled to -2 to 0° C. and sodium nitrite (10.2 g, 0.148 moles) dissolved in water (20 ml) was added dropwise to the acidic solution through an addition funnel over a period of 1 hour at -2 to 0° C. The resulting mixture was stirred for 1 hour at -2 to 0° C. L-Ascorbic acid (22.8 g, 0.129 moles) was then added portionwise as a solid over a period of 1 hour at -2 to 0° C. The reaction was allowed to come to room temperature (18-20° C.) over a period of 10 minutes, then heated at 40° C. and stirred for 2 hours at this temperature. The resultant slurry was cooled to room temperature (18-20° C.) and water (50 ml) was added. The mixture was stirred 16 hours at 20-25° C., then filtered and the solid was washed with water to afford 110 g of wet oxalic acid intermediate. One hundred eight grams of wet oxalic acid intermediate product were suspended in concentrated HCl (160 ml) and water (90 ml) and stirred at 90° C. for 2 hours. The orange suspension was cooled and stirred for 16 hours at 20-25° C. The solid was filtered and dried to constant weight, resulting in 22.4 g of 2,5-dichlorophenylhydrazine.HCl.xH2O (x=2-3) as an orange solid (HPLC purity calculated as area percent: 98.3percent; 71percent overall molar yield based on a molecular weight of 260.34 for 2,5-dichlorophenylhydrazine monohydrochloride with 2.6 molecules of crystallization water). |
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