(1R)-1-Cyano-3-phenylpropyl acetate
Catalog No: FT-0690226
CAS No: 126641-88-1
- Chemical Name: (1R)-1-Cyano-3-phenylpropyl acetate
- Molecular Formula: C12H13NO2
- Molecular Weight: 203.24
- InChI Key: KPAMJASXSZFFLW-GFCCVEGCSA-N
- InChI: InChI=1S/C12H13NO2/c1-10(14)15-12(9-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3/t12-/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 |
| Product_Name: | (r)-(+)-2-acetoxy-4-phenylbutyronitrile |
|---|---|
| Flash_Point: | 113ºC |
| Melting_Point: | N/A |
| FW: | 203.23700 |
| Density: | 1.072 g/mL at 25ºC(lit.) |
| CAS: | 126641-88-1 |
| Bolling_Point: | 353.6ºC at 760mmHg |
| MF: | C12H13NO2 |
| Molecular_Structure: | ['五分子性质数据 ', '1 . Molar refractive index 5598 ', '2 . Molar volume (m3/mol)1855 ', '3 . Parachor (902K)4734 ', '4 . Surface tension 424 ', '5 . Polarizability 2219'] |
|---|---|
| LogP: | 2.07448 |
| Flash_Point: | 113ºC |
| Refractive_Index: | n20/D 1.5(lit.) |
| FW: | 203.23700 |
| Density: | 1.072 g/mL at 25ºC(lit.) |
| Bolling_Point: | 353.6ºC at 760mmHg |
| Computational_Chemistry: | ['1 . XlogP ', '2 . Hydrogen Bond Donor Count ', '3 . Hydrogen Bond Acceptor Count ', '4 . Rotatable Bond Count ', '5 . TPSA ', '6 . Heavy Atom Count ', '7 . Topological Polar Surface Area ', '8 . Complexity ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| PSA: | 50.09000 |
| MF: | C12H13NO2 |
| More_Info: | ['1 . Appearance 。 ', '2 . Density(g/mL,25/4℃) ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC) ', '5 . Boiling point(ºC,Atmospheric pressure) ', '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)Unknow ', '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 。'] |
| Vapor_Pressure: | 3.54E-05mmHg at 25°C |
| Exact_Mass: | 203.09500 |
| Hazard_Codes: | Xn |
|---|---|
| RIDADR: | UN 3276 6.1/PG 2 |
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2926909090 |
| Safety_Statements: | S36/37 |
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