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. : | 101-79-1 | MDL No. : | MFCD00043925 |
Formula : | C12H10ClNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YTISFYMPVILQRL-UHFFFAOYSA-N |
M.W : | 219.67 | Pubchem ID : | 7578 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 62.37 |
TPSA : | 35.25 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.74 cm/s |
Log Po/w (iLOGP) : | 2.45 |
Log Po/w (XLOGP3) : | 2.67 |
Log Po/w (WLOGP) : | 3.72 |
Log Po/w (MLOGP) : | 3.22 |
Log Po/w (SILICOS-IT) : | 2.94 |
Consensus Log Po/w : | 3.0 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.34 |
Solubility : | 0.0995 mg/ml ; 0.000453 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.06 |
Solubility : | 0.19 mg/ml ; 0.000867 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.92 |
Solubility : | 0.00265 mg/ml ; 0.0000121 mol/l |
Class : | Moderately soluble |
PAINS : | 1.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.64 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501 | UN#: | 3077 |
Hazard Statements: | H302-H317-H318-H410 | 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 |
---|---|---|
89% | Stage #1: With hydrazine hydrate In ethanol at 28 - 30℃; for 0.166667 h; Stage #2: at 50 - 60℃; |
General procedure: A mixture of 1-substituted-4-nitrobenzene (9.3mmol) and N2H4*H2O (27.9 mmol) in 20 ml ethanol was stirred for 10 min at 28-30 °C. The suspension of Raney-Ni in water (0.02 g, 4.41 ml) was added by stirring in three portions at 10 minute intervals. After 30 min, when reaction had subsided, stirring was continued for further 6 h at 50-60 °C. The catalyst was removed by filtration. The solvent was evaporated to obtain compounds 6-10: |
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