4-METHYLBENZOYLACETONITRILE
Catalog No: FT-0604218
CAS No: 7391-28-8
- Molecular Formula: 159.18
- Formula Weight: C10H9NO
- Inchl Key: AIECDYDQPCANJK-UHFFFAOYSA-N
- Inchl: InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
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: | 105-108 °C(lit.) |
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CAS: | 7391-28-8 |
MF: | C10H9NO |
Flash_Point: | 146.2±23.2 °C |
Product_Name: | 3-(4-Methylphenyl)-3-oxopropanenitrile |
Density: | 1.1±0.1 g/cm3 |
FW: | 159.185 |
Bolling_Point: | 318.2±25.0 °C at 760 mmHg |
Refractive_Index: | 1.533 |
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Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
Flash_Point: | 146.2±23.2 °C |
LogP: | 1.43 |
Bolling_Point: | 318.2±25.0 °C at 760 mmHg |
PSA: | 40.86000 |
Molecular_Structure: | ['1 . Molar refractive index 4565 ', '2 . Molar volume (m3/mol)1471 ', '3 . Parachor (902K)3781 ', '4 . Surface tension 436 ', '5 . Polarizability (10 -24cm 3)1809'] |
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 :7 ', '6. TPSA 409 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :205 ', '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'] |
Melting_Point: | 105-108 °C(lit.) |
MF: | C10H9NO |
Exact_Mass: | 159.068420 |
FW: | 159.185 |
Density: | 1.1±0.1 g/cm3 |
More_Info: | ['1 . Appearance 粉末 ', '2 . Density(g/mL,25/4℃) 无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)105-108 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa) 无可用 ', '7 . Refractive index 无可用 ', '8 . Flash point(ºC)无可用 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V) 无可用 ', '19 . Solubility 无可用'] |
Hazard_Class: | 6.1 |
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Risk_Statements(EU): | R20/21/22 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
RIDADR: | 3276 |
Hazard_Codes: | Xn:Harmful; |
HS_Code: | 2926909090 |
Safety_Statements: | S26-S36/37/39 |
Packing_Group: | III |