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. : | 45102-52-1 | MDL No. : | MFCD00042381 |
Formula : | C7H8F4O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RSVZYSKAPMBSMY-UHFFFAOYSA-N |
M.W : | 200.13 | Pubchem ID : | 123515 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.57 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 36.82 |
TPSA : | 26.3 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) : | -6.12 cm/s |
Log Po/w (iLOGP) : | 1.96 |
Log Po/w (XLOGP3) : | 1.97 |
Log Po/w (WLOGP) : | 3.69 |
Log Po/w (MLOGP) : | 2.17 |
Log Po/w (SILICOS-IT) : | 2.38 |
Consensus Log Po/w : | 2.43 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.99 |
Solubility : | 2.04 mg/ml ; 0.0102 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.15 |
Solubility : | 1.42 mg/ml ; 0.00712 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.03 |
Solubility : | 1.88 mg/ml ; 0.0094 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.06 |
Signal Word: | Danger | Class: | 3,8 |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | 2924 |
Hazard Statements: | H225-H302-H315-H318-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 |
---|---|---|
With sulfuric acid; hydroquinone In benzene Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With bromine trichloride In chloroform |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
36% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
24% | In N,N-dimethyl-formamide at 60℃; for 1.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With oxygen at 50℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2,2'-azobis(isobutyronitrile) In chlorobenzene at 60℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; | ||
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dilauryl peroxide at 65℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: bromine trichloride / CHCl3 2: 80 percent Turnov. / bromine trifluoride / 1,1,2-trichloro-1,2,2-trifluoro-ethane / 0.5 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80.8% | With 2,2'-azobis(isobutyronitrile) In methanol at 60℃; for 21h; | 3-19 In 59.69 g of methanol were dissolved 18.47 g (68.60 mmol) of 11-methacrylamidoundecanoic acid (MAU), 1.53 g (7.62 mmol) of 2,2,3,3-tetrafluoropropyl methacrylate (Tokyo Chemical industry Co.), and 0.31 g (1.89 mmol) of azobisisobutyronitrile (Nacalai Tesque, Inc.). The solution was deaerated by bubbling nitrogen for 60 minutes. The container was covered with a septum, and the polymerization was conducted by heating at 60° C. for 20 hours. After the completion of the polymerization reaction, the reaction solution was dropwise added into a large excess of diethyl ether, and the resulting precipitate was collected by filtration under suction. After drying under reduced pressure, 16.15 g of random MAU/2,2,3,3-tetrafluoropropyl methacrylate copolymer (90/10) was obtained (yield: 80.8%). The weight average molecular weight was 220000. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2,2'-azobis(isobutyronitrile) at 25℃; UV-irradiation; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 1,1,ω-trihydrotetrafluoropropyl methacrylate With 2,2'-azobis(isobutyronitrile) at 70℃; Stage #2: at 25℃; UV-irradiation; Further stages.; |
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