(1-isothiocyanatoethyl)benzene
Catalog No: FT-0694119
CAS No: 24277-44-9
- Chemical Name: (1-isothiocyanatoethyl)benzene
- Molecular Formula: C9H9NS
- Molecular Weight: 163.24
- InChI Key: QQCJPTVZIZVKEZ-MRVPVSSYSA-N
- InChI: InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/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 |
| Melting_Point: | N/A |
|---|---|
| CAS: | 24277-44-9 |
| MF: | C9H9NS |
| Flash_Point: | 102.3ºC |
| Product_Name: | [(1R)-1-isothiocyanatoethyl]benzene |
| Density: | 1.06 |
| FW: | 163.23900 |
| Bolling_Point: | 246.4ºC at 760mmHg |
| Refractive_Index: | 1.581 |
|---|---|
| Vapor_Pressure: | 0.0427mmHg at 25°C |
| Flash_Point: | 102.3ºC |
| LogP: | 2.85040 |
| Bolling_Point: | 246.4ºC at 760mmHg |
| PSA: | 44.45000 |
| Molecular_Structure: | ['1 . Molar refractive index 5166 ', '2 . Molar volume (m3/mol)1613 ', '3 . Parachor (902K)3880 ', '4 . Surface tension 334 ', '5 . Polarizability (10 -24cm 3)2048'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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'] |
| MF: | C9H9NS |
| Exact_Mass: | 163.04600 |
| FW: | 163.23900 |
| Density: | 1.06 |
| More_Info: | ['1 . Appearance Yellow Liquid ,刺激性气味 ', '2 . Density(g/mL,25/4℃)106 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,20mmhg)132-133 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index15810 ', '8 . Flash point(ºC)103 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kpa,20ºC)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'] |
| Risk_Statements(EU): | R36/37/38 |
|---|---|
| RIDADR: | UN 2810 |
| Hazard_Codes: | Xn |
| HS_Code: | 2930909090 |
| Safety_Statements: | 22-26-45 |
| Packing_Group: | III |
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