![2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid (CAS: 21752-35-2) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0773187.png "2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid chemical structure")
2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
Catalog No: FT-0773187
CAS No: 21752-35-2
- Chemical Name: 2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
- Molecular Formula: C16H15NO3
- Molecular Weight: 269.29
- InChI Key: VCFKXWGKKDZMPO-LLVKDONJSA-N
- InChI: InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/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: | 2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid |
|---|---|
| Bolling_Point: | 500.3±43.0 °C at 760 mmHg |
| MF: | C16H15NO3 |
| Symbol: | GHS07 |
| Melting_Point: | 128-130ºC |
| Density: | 1.2±0.1 g/cm3 |
| CAS: | 21752-35-2 |
| FW: | 269.295 |
| Flash_Point: | 256.4±28.2 °C |
| MF: | C16H15NO3 |
|---|---|
| Bolling_Point: | 500.3±43.0 °C at 760 mmHg |
| Exact_Mass: | 269.105194 |
| 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 ）128-130 ', '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）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 Unknow'] |
| Melting_Point: | 128-130ºC |
| Refractive_Index: | 1.606 |
| PSA: | 66.40000 |
| Flash_Point: | 256.4±28.2 °C |
| Density: | 1.2±0.1 g/cm3 |
| Molecular_Structure: | ['1 . Molar refractive index 7592 ', '2 . Molar volume (m3/mol)2202 ', '3 . Parachor (902K)5931 ', '4 表面张力(dyne/cm)525 ', '5 . Polarizability (10-24cm3)3010'] |
| Computational_Chemistry: | ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 664 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :350 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| FW: | 269.295 |
| LogP: | 2.42 |
| Vapor_Pressure: | 0.0±1.3 mmHg at 25°C |
| RIDADR: | NONH for all modes of transport |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| HS_Code: | 2924299090 |
| Safety_Statements: | S26-S36 |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Symbol: | GHS07 |
| Hazard_Codes: | Xi |
