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. : | 13073-29-5 | MDL No. : | MFCD00031116 |
Formula : | C7H7NO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AQDKZPFDOWHRDZ-UHFFFAOYSA-N |
M.W : | 153.14 | Pubchem ID : | 83103 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 42.25 |
TPSA : | 66.05 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) : | -5.42 cm/s |
Log Po/w (iLOGP) : | 1.58 |
Log Po/w (XLOGP3) : | 2.55 |
Log Po/w (WLOGP) : | 1.61 |
Log Po/w (MLOGP) : | 0.61 |
Log Po/w (SILICOS-IT) : | -0.36 |
Consensus Log Po/w : | 1.2 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.73 |
Solubility : | 0.283 mg/ml ; 0.00185 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.58 |
Solubility : | 0.0399 mg/ml ; 0.00026 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.57 |
Solubility : | 4.08 mg/ml ; 0.0267 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.53 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 | UN#: | 2446 |
Hazard Statements: | H301-H315-H319-H412 | 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% | With hydrogen In ethanol; ethyl acetate | B. A mixture of 2-methyl-6-nitrophenol (542 mg, 3.54 mmol), 10percent Pd/C (54 mg) in EtOAc/EtOH (5.5 mL/11 mL) was stirred under hydrogen at atmospheric pressure overnight. The mixture was filtered through Celite and the filtrate was concentrated to give 2-amino-6-methylphenol as a brown solid (373 mg, 85percent). |
77% | With sodium dithionite In methanol; water for 2 h; Reflux | An aqueous solution (50 mL) containing Na2S2O4 (40.93 g, 235 mmol) was slowly added to a solution of methanol (50 mL) containing compound 78 (6.0 g, 39 mmol)The reaction mixture was refluxed and stirred for 2 hours.After cooling at room temperature, the resulting solid was filtered off and the filtrate was concentrated under reduced pressure,EtOAc and water were added, the EtOAc layer was dried over Na2SO4, filtered under reduced pressure, and the filtrate was concentrated under reduced pressure to obtain Compound 79. |
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