3,5-DIMETHOXYPHENYLACETONITRILE


Catalog No:   FT-0614647

CAS No:   13388-75-5

  • Molecular Formula:  177.2
  • Formula Weight: C10H11NO2
  • Inchl Key: UUNRWZQWCNTSCV-UHFFFAOYSA-N
  • Inchl: InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
FW: 177.200
CAS: 13388-75-5
Flash_Point: 127.3±16.9 °C
MF: C10H11NO2
Symbol: Warning
Bolling_Point: 316.7±27.0 °C at 760 mmHg
Melting_Point: 54-57 °C(lit.)
Product_Name: (3,5-Dimethoxyphenyl)acetonitrile
Density: 1.1±0.1 g/cm3
FW: 177.200
MF: C10H11NO2
Refractive_Index: 1.512
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Bolling_Point: 316.7±27.0 °C at 760 mmHg
Exact_Mass: 177.078979
PSA: 42.25000
Computational_Chemistry: ['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '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']
Molecular_Structure: ['1 . Molar refractive index 4907 ', '2 . Molar volume (m3/mol)1636 ', '3 . Parachor (902K)4055 ', '4 . Surface tension 377 ', '5 . Polarizability 1945']
LogP: 1.16
Melting_Point: 54-57 °C(lit.)
Flash_Point: 127.3±16.9 °C
Density: 1.1±0.1 g/cm3
More_Info: ['1 . Appearance White Solid ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)52-55 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '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']
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
HS_Code: 2926909090
Symbol: Warning
Risk_Statements(EU): R20/21/22
WGK_Germany: 3
Packing_Group: III
Safety_Statements: H302
RIDADR: 3439
Hazard_Codes: Xn: Harmful;
Hazard_Class: 6.1

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