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. : | 454-90-0 | MDL No. : | MFCD00000385 |
Formula : | C8H7F3O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XHONYVFDZSPELQ-UHFFFAOYSA-N |
M.W : | 176.14 | Pubchem ID : | 96691 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 37.94 |
TPSA : | 9.23 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.35 cm/s |
Log Po/w (iLOGP) : | 2.19 |
Log Po/w (XLOGP3) : | 2.85 |
Log Po/w (WLOGP) : | 3.87 |
Log Po/w (MLOGP) : | 2.88 |
Log Po/w (SILICOS-IT) : | 2.83 |
Consensus Log Po/w : | 2.92 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.97 |
Solubility : | 0.191 mg/ml ; 0.00108 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.7 |
Solubility : | 0.349 mg/ml ; 0.00198 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.41 |
Solubility : | 0.0688 mg/ml ; 0.000391 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.21 |
Signal Word: | Danger | Class: | 3 |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | 1993 |
Hazard Statements: | H225-H315-H319-H335 | 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 |
---|---|---|
60% | at 90℃; for 96 h; Schlenk technique; Sealed tube; Inert atmosphere | A flame-dried 100 mL Schlenk tube was charged with bis(pinacolato)diboron (350 mg, 1.38 mmol), [Ir(COD)Cl]z (12 mg, 0.018 mmol), sodium methoxide (5 mg, 0.09 mmol), and 4,4'-di-tert-butyl-2,2'-dipyridyl (8 mg, 0.03 mmol). The flask was evacuated, placed under argon, and 3-trifluoromethylanisole (2.5 mL) was added. The flask was restoppered and evacuated (full vacuum, 2 minutes). The flask was sealed under vacuum and maintained at 90° C. (oil bath) for 96 h. Thereafter, the contents were transferred to a round bottom flask with the aid of ethyl acetate and purified by Kugelrohr distillation. The product, a viscous oil, distills at 120° C. 10 p.m. Isolated yield 497 mg (1.65 mmol, 60percent). 1H NMR (400 MHz, CDCl3) δ 7.62 (s, 1H); 7.43 (s, 1H); 7.18 (s, 1H); 3.82 (s, 1H); 1.32 (s, 1H). |
[ 349-60-0 ]
1-Methoxy-3,5-bis(trifluoromethyl)benzene
Similarity: 0.98
[ 349-56-4 ]
3-Methoxy-5-(trifluoromethyl)phenol
Similarity: 0.96
[ 261951-88-6 ]
(4-Methoxy-3-(trifluoromethyl)phenyl)methanol
Similarity: 0.90
[ 349-60-0 ]
1-Methoxy-3,5-bis(trifluoromethyl)benzene
Similarity: 0.98
[ 349-56-4 ]
3-Methoxy-5-(trifluoromethyl)phenol
Similarity: 0.96
[ 261951-88-6 ]
(4-Methoxy-3-(trifluoromethyl)phenyl)methanol
Similarity: 0.90
[ 349-60-0 ]
1-Methoxy-3,5-bis(trifluoromethyl)benzene
Similarity: 0.98
[ 349-56-4 ]
3-Methoxy-5-(trifluoromethyl)phenol
Similarity: 0.96
[ 261951-88-6 ]
(4-Methoxy-3-(trifluoromethyl)phenyl)methanol
Similarity: 0.90
[ 106312-36-1 ]
4-Methoxy-2-(trifluoromethyl)benzaldehyde
Similarity: 0.81
[ 90035-20-4 ]
4-(4-(Trifluoromethyl)phenoxy)benzaldehyde
Similarity: 0.81
[ 349-60-0 ]
1-Methoxy-3,5-bis(trifluoromethyl)benzene
Similarity: 0.98
[ 349-56-4 ]
3-Methoxy-5-(trifluoromethyl)phenol
Similarity: 0.96
[ 261951-88-6 ]
(4-Methoxy-3-(trifluoromethyl)phenyl)methanol
Similarity: 0.90