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+ |
Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 827586-90-3 | MDL No. : | MFCD19690275 |
Formula : | C6H5F3N2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QVXXNMHZXMHXJZ-UHFFFAOYSA-N |
M.W : | 178.11 | Pubchem ID : | 49871148 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 35.32 |
TPSA : | 48.14 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) : | -6.43 cm/s |
Log Po/w (iLOGP) : | 1.33 |
Log Po/w (XLOGP3) : | 1.35 |
Log Po/w (WLOGP) : | 2.83 |
Log Po/w (MLOGP) : | 0.04 |
Log Po/w (SILICOS-IT) : | 1.22 |
Consensus Log Po/w : | 1.36 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.03 |
Solubility : | 1.65 mg/ml ; 0.00927 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.96 |
Solubility : | 1.94 mg/ml ; 0.0109 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.29 |
Solubility : | 0.911 mg/ml ; 0.00512 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.92 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | 1759 |
Hazard Statements: | H302-H318 | 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 |
---|---|---|
80% | With ammonium formate In methanol at 55℃; for 16 h; | 4-Amino-3-trifluoromethoxy pyridine (21); At 25 0C, palladium (10percent on charcoal, 470 mg) was added with stirring to a solution of 4-amino-2-chloro-3-trifluoromethoxypyridine (20, 1.5 g, 7.0 mmol) and ammonium formate (880 mg, 14.0 mmol, 2 eq) in methanol (12 mL). The reaction mixture was stirred for 16 h at 55 0C before being filtrated under suction and the solvent evaporated. The residue was partitioned between ethyl acetate (2χ 20 mL) and water (30 mL). The combined organic layers were dried over sodium sulfate before being evaporated. The crude yellow oil was distilled under vacuum to afford pure 4-amino-3-trifluoromethoxy pyridine (21, 1.0 g, 5.6 mmol, 80percent) as a colorless oil; b.p 110-114 0C / 14 mbar.1H NMR (CDCl3, 300 MHz): δ = 8.19 (s, 1 H), 8.05 (d, J= 5.5 Hz 1 H), 6.59 (d, J= 5.5Hz, 1 H), 4.41 (bs, 2 H). - 19F NMR (CDCl3, 282 MHz): δ = -58.7. - 13C NMR (CD3OD, 75 MHz): δ = 150.8, 148.5, 143.5, 132.9, 120.8 (q, J = 259 Hz), 110.4. - C6H5F3N2O (178): calcd. (percent) C 40.46, H 2.83, N 15.73; found C 40.28, H 2.74, N 15.94. |
[ 1206978-11-1 ]
2-Bromo-3-(trifluoromethoxy)pyridine
Similarity: 0.74
[ 1206981-49-8 ]
3-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.73
[ 947249-27-6 ]
2-Bromo-3-(difluoromethoxy)pyridine
Similarity: 0.72
[ 947249-14-1 ]
3-(Difluoromethoxy)pyridin-2-amine
Similarity: 0.70
[ 1206980-39-3 ]
2-Chloro-3-(trifluoromethoxy)pyridine
Similarity: 0.69
[ 1206978-11-1 ]
2-Bromo-3-(trifluoromethoxy)pyridine
Similarity: 0.74
[ 1206981-49-8 ]
3-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.73
[ 947249-27-6 ]
2-Bromo-3-(difluoromethoxy)pyridine
Similarity: 0.72
[ 1206981-49-8 ]
3-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.73
[ 947249-14-1 ]
3-(Difluoromethoxy)pyridin-2-amine
Similarity: 0.70
[ 1206978-11-1 ]
2-Bromo-3-(trifluoromethoxy)pyridine
Similarity: 0.74
[ 1206981-49-8 ]
3-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.73
[ 1206980-39-3 ]
2-Chloro-3-(trifluoromethoxy)pyridine
Similarity: 0.69
[ 1221171-88-5 ]
5-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.69
[ 888327-36-4 ]
2-Bromo-5-(trifluoromethoxy)pyridine
Similarity: 0.68
[ 1206978-11-1 ]
2-Bromo-3-(trifluoromethoxy)pyridine
Similarity: 0.74
[ 1206981-49-8 ]
3-(Trifluoromethoxy)pyridin-2-amine
Similarity: 0.73