Piperonylonitrile
Catalog No: FT-0614107
CAS No: 4421-09-4
- Molecular Formula: 147.13
- Formula Weight: C8H5NO2
- Inchl Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Bolling_Point: | 257.3±29.0 °C at 760 mmHg |
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CAS: | 4421-09-4 |
MF: | C8H5NO2 |
Melting_Point: | 91-93 °C(lit.) |
Symbol: | Warning |
Density: | 1.3±0.1 g/cm3 |
FW: | 147.131 |
Product_Name: | Piperonylonitrile |
Flash_Point: | 115.4±17.5 °C |
Bolling_Point: | 257.3±29.0 °C at 760 mmHg |
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LogP: | 1.88 |
More_Info: | ['1 . Appearance 灰White Solid ', '2 . Density(g/mL ,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)91-93 ', '5 . Boiling point(ºC)不确定 ', '6 . Boiling point(ºC,01mmHg)不确定 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 蒸汽压(20ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定'] |
Computational_Chemistry: | ['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 423 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 196 ', '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'] |
Melting_Point: | 91-93 °C(lit.) |
Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
Exact_Mass: | 147.032028 |
MF: | C8H5NO2 |
Density: | 1.3±0.1 g/cm3 |
Refractive_Index: | 1.597 |
PSA: | 42.25000 |
Flash_Point: | 115.4±17.5 °C |
Molecular_Structure: | ['1 . Molar refractive index 3737 ', '2 . Molar volume 1096 ', '3 . Parachor (902K)3007 ', '4 . Surface tension 564 ', '5 . Polarizability 1481'] |
FW: | 147.131 |
Safety_Statements: | H302 + H312 + H332 |
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RIDADR: | 3276 |
WGK_Germany: | 3 |
Hazard_Codes: | Xn:Harmful; |
RTECS: | TO2645000 |
HS_Code: | 2932999099 |
Risk_Statements(EU): | R20/21 |
Symbol: | Warning |
Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
Hazard_Class: | 6.1 |
Packing_Group: | III |
Warning_Statement: | P280 |