1,3-Dimethyl-5-pyrazolone
Catalog No: FT-0606693
CAS No: 2749-59-9
- Chemical Name: 1,3-Dimethyl-5-pyrazolone
 - Molecular Formula: C5H8N2O
 - Molecular Weight: 112.13
 - InChI Key: NDELSWXIAJLWOU-UHFFFAOYSA-N
 - InChI: InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
 
| 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 | 
| FW: | 112.130 | 
|---|---|
| CAS: | 2749-59-9 | 
| Melting_Point: | 117°C | 
| Bolling_Point: | 151.7±23.0 °C at 760 mmHg | 
| MF: | C5H8N2O | 
| Product_Name: | 1,3-Dimethyl-5-pyrazolone | 
| Flash_Point: | 45.5±22.6 °C | 
| Density: | 1.2±0.1 g/cm3 | 
| FW: | 112.130 | 
|---|---|
| MF: | C5H8N2O | 
| Refractive_Index: | 1.554 | 
| Vapor_Pressure: | 3.6±0.3 mmHg at 25°C | 
| Bolling_Point: | 151.7±23.0 °C at 760 mmHg | 
| Exact_Mass: | 112.063660 | 
| PSA: | 32.67000 | 
| Computational_Chemistry: | ['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 327 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 151 ', '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'] | 
| Molecular_Structure: | ['1 . Molar refractive index 3052 ', '2 . Molar volume (m3/mol)951 ', '3 . Parachor (902K)2371 ', '4 . Surface tension 384 ', '5 . Polarizability 1210'] | 
| LogP: | -0.44 | 
| Melting_Point: | 117°C | 
| Flash_Point: | 45.5±22.6 °C | 
| Density: | 1.2±0.1 g/cm3 | 
| More_Info: | ['1 . Appearance Yellow Solid ', '2 . Density(g/mL,25/4℃)无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)117 ', '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'] | 
| Risk_Statements(EU): | R36/37/38 | 
|---|---|
| Hazard_Codes: | Xi: Irritant; | 
| HS_Code: | 2933199090 | 
| Safety_Statements: | S26-S36/37/39 | 
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