

PHENYLTHIOACETONITRILE
Catalog No: FT-0605013
CAS No: 5219-61-4
- Molecular Formula: 149.21
- Formula Weight: C8H7NS
- Inchl Key: QMJWPWCKRKHUNY-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
Assay | Pack | 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: | 5219-61-4 |
MF: | C8H7NS |
Flash_Point: | 146-147°C/14mm |
Product_Name: | (Phenylthio)acetonitrile |
Density: | 1.142 g/mL at 25 °C(lit.) |
FW: | 149.21300 |
Bolling_Point: | 146-147 °C14 mm Hg(lit.) |
Refractive_Index: | n20/D 1.583(lit.) |
---|---|
Flash_Point: | 146-147°C/14mm |
LogP: | 2.30228 |
Bolling_Point: | 146-147 °C14 mm Hg(lit.) |
FW: | 149.21300 |
PSA: | 49.09000 |
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 491 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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: | C8H7NS |
Exact_Mass: | 149.03000 |
Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 4396 ', '2 . Molar volume 1307 ', '3 . Parachor (902K)3455 ', '4 . Surface tension 487 ', '5 . Polarizability 1742'] |
Density: | 1.142 g/mL at 25 °C(lit.) |
More_Info: | ['1 . Appearance 极淡Yellow -Yellow 透明Liquid ,有恶臭气味 ', '2 . Density(g/mL,25/4℃)1142 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)109-112 ', '5 . Boiling point(℃/19kPa)146-147 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index1583 ', '8 . Flash point(ºC)146-147 ', '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'] |
Hazard_Class: | 6.1 |
---|---|
Risk_Statements(EU): | 22 |
WGK_Germany: | 3 |
RTECS: | AM1900000 |
RIDADR: | 3276 |
Hazard_Codes: | Xn,T |
Safety_Statements: | S23-S24/25 |
Packing_Group: | III |
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