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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+ |
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Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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CAS No. : | 18051-88-2 | MDL No. : | MFCD00053194 |
Formula : | C11H24Cl2Si | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UFVFNJHZBMHRCO-UHFFFAOYSA-N |
M.W : | 255.30 | Pubchem ID : | 87434 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 9 |
Num. H-bond acceptors : | 0.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 72.45 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -2.72 cm/s |
Log Po/w (iLOGP) : | 3.8 |
Log Po/w (XLOGP3) : | 7.24 |
Log Po/w (WLOGP) : | 5.68 |
Log Po/w (MLOGP) : | 4.76 |
Log Po/w (SILICOS-IT) : | 3.75 |
Consensus Log Po/w : | 5.05 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.39 |
Solubility : | 0.00104 mg/ml ; 0.00000407 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -7.06 |
Solubility : | 0.000022 mg/ml ; 0.0000000863 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -5.64 |
Solubility : | 0.000588 mg/ml ; 0.0000023 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 3.65 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P390-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 | UN#: | 2987 |
Hazard Statements: | H290-H314 | Packing Group: | Ⅱ |
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 |
---|---|---|
at 260℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97.8% | Stage #1: 1-Decene With diethylenetriaminepentaacetic acid (DTPA)-functionalized silica supported Pt at 60℃; for 0.5h; Stage #2: Dichloromethylsilane at 60℃; for 4h; | |
With dibenzoyl peroxide | ||
With dicyclohexyl peroxydicarbonate |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With water; aniline In diethyl ether; acetone | ||
With water; aniline In tetrahydrofuran; diethyl ether for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With lithium aluminium tetrahydride In diethyl ether Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1-Decen, /BRN= 71194/; | ||
Erhitzen von Methyl-dichlor-silan, Decen-(1) unter Stickstoff im Autoklaven auf 130-140gradC in Ggw. von Eisenpentacarbonyl - daneben ueberwiegend Methyl-<decen-(1)-yl>-dichlor-silan; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium In toluene at 110℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: water; aniline / tetrahydrofuran; diethyl ether / 1 h 2.1: SiCl4 / hexane; tetrahydrofuran / 20 °C 2.2: pyridine / hexane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: 5percent Pt/C / octane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: 5percent Pt/C / octane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | Stage #1: phenylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Stage #2: dichloro(decyl)(methyl)silane at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 3-(1,3-dioxolan-2-yl)-phenylbromide With n-butyllithium In tetrahydrofuran; hexane at -78 - 60℃; for 1.5h; Inert atmosphere; Stage #2: dichloro(decyl)(methyl)silane In tetrahydrofuran; hexane at 20℃; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | Stage #1: 9-(4-bromophenyl)-10-(naphthalen-1-yl)anthracene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: dichloro(decyl)(methyl)silane In tetrahydrofuran; hexane at -78 - 20℃; for 3h; | 3 Preparation Example 3 Synthesis of Formula 1-3 To a 250 mL round flask was added compound B(10 mmol) and tetrahydrofuran And the mixture was stirred.The compound was sufficiently dissolved and then cooled to -78 ° C.Butyllithium 2.5M (4 ml, 10 mmol) in hexane solution,And the mixture was stirred for 30 minutes.1.28 g (5 mmol) of dichloro (decyl) (methyl) silane,And the mixture was stirred for 1 hour. After warming to room temperature and stirring for two hours, ammonium chloride Add an aqueous solution and stir for 5 minutes.After extraction with ethyl acetate in a separatory funnel, The solvent was removed. Through column chromatography, 1-3 6.2 g (Yield: 66%) was obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: bis(η3-allyl-μ-chloropalladium(II)); DavePhos / 1,4-dioxane; hexane / 18 h / 120 °C 2: dmap; triethylamine / 1 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97 %Spectr. | With bis(η3-allyl-μ-chloropalladium(II)); DavePhos In 1,4-dioxane; hexane at 120℃; for 18h; |