![[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate (CAS: 14152-97-7) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0772450.png "[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate chemical structure")
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
Catalog No: FT-0772450
CAS No: 14152-97-7
- Chemical Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
- Molecular Formula: C15H19NO9S
- Molecular Weight: 389.4
- InChI Key: WOWNQYXIQWQJRJ-UXXRCYHCSA-N
- InChI: InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| CAS: | 14152-97-7 |
|---|---|
| MF: | C15H19NO9S |
| Density: | 1.4±0.1 g/cm3 |
| Flash_Point: | 237.8±28.7 °C |
| Melting_Point: | 114-116 °C(lit.) |
| Product_Name: | TAGIT |
| Symbol: | GHS07, GHS08 |
| Bolling_Point: | 469.7±45.0 °C at 760 mmHg |
| FW: | 389.378 |
| MF: | C15H19NO9S |
|---|---|
| Density: | 1.4±0.1 g/cm3 |
| Computational_Chemistry: | ['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 10 ', '5 . TPSA 127 ', '6 . Heavy Atom Count 26 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 616 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 5 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）114-116 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Exact_Mass: | 389.078064 |
| Vapor_Pressure: | 0.0±1.2 mmHg at 25°C |
| Flash_Point: | 237.8±28.7 °C |
| PSA: | 158.88000 |
| Molecular_Structure: | ['1 . Molar refractive index 8911 ', '2 . Molar volume 2770 ', '3 . Parachor （902K）7157 ', '4 . Surface tension 445 ', '5 . Polarizability 3532'] |
| LogP: | 2.44 |
| Melting_Point: | 114-116 °C(lit.) |
| Bolling_Point: | 469.7±45.0 °C at 760 mmHg |
| FW: | 389.378 |
| Refractive_Index: | 1.557 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
|---|---|
| WGK_Germany: | 3 |
| Symbol: | GHS07, GHS08 |
| Safety_Statements: | S22-S26-S36-S45 |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P342 + P311 |
| Hazard_Codes: | Xn: Harmful; |
| Risk_Statements(EU): | R36/37/38;R42 |
| RIDADR: | 2810 |
