3-CHLOROBENZOYLACETONITRILE


Catalog No:   FT-0604210

CAS No:   21667-62-9

  • Molecular Formula:  179.6
  • Formula Weight: C9H6ClNO
  • Inchl Key: IUDFNNHFARLIPF-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 3-(3-Chlorophenyl)-3-oxopropanenitrile
Bolling_Point: 347.1±27.0 °C at 760 mmHg
MF: C9H6ClNO
Symbol: GHS07
Melting_Point: 78 °C
CAS: 21667-62-9
Density: 1.3±0.1 g/cm3
FW: 179.603
Flash_Point: 163.7±23.7 °C
MF: C9H6ClNO
Bolling_Point: 347.1±27.0 °C at 760 mmHg
Exact_Mass: 179.013794
More_Info: ['1. Appearance Unknow ', '2. Density(g/mL,25/4℃)Unknow ', '3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)78 ', '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']
Melting_Point: 78 °C
PSA: 40.86000
Flash_Point: 163.7±23.7 °C
Refractive_Index: 1.553
Density: 1.3±0.1 g/cm3
Molecular_Structure: ['1 . Molar refractive index 4572 ', '2 . Molar volume (m3/mol)1428 ', '3 . Parachor (902K)3764 ', '4 表面张力(dyne/cm)482 ', '5 . Polarizability (10-24cm3)1812']
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 :2 ', '6. TPSA 409 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :218 ', '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']
FW: 179.603
LogP: 1.82
Vapor_Pressure: 0.0±0.8 mmHg at 25°C
Risk_Statements(EU): R20/21/22;R36/37/38
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
Safety_Statements: H302-H312-H319-H332
HS_Code: 2926909090
Warning_Statement: P280-P305 + P351 + P338
RIDADR: 3276
Packing_Group: III
Symbol: GHS07
Hazard_Codes: Xn:Harmful;

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