3-Iodobenzonitrile


Catalog No:   FT-0615897

CAS No:   69113-59-3

  • Molecular Formula:  229.02
  • Formula Weight: C7H4IN
  • Inchl Key: BGARPMGQRREXLN-UHFFFAOYSA-N
  • Inchl: InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H

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: 40-43 °C(lit.)
CAS: 69113-59-3
MF: C7H4IN
Flash_Point: 111.1±22.6 °C
Product_Name: 3-Iodobenzonitrile
Density: 1.9±0.1 g/cm3
FW: 229.018
Bolling_Point: 260.1±23.0 °C at 760 mmHg
Refractive_Index: 1.661
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Flash_Point: 111.1±22.6 °C
LogP: 2.75
Bolling_Point: 260.1±23.0 °C at 760 mmHg
PSA: 23.79000
Molecular_Structure: ['1 . Molar refractive index 4424 ', '2 . Molar volume (m3/mol)1197 ', '3 . Parachor (902K)3269 ', '4 . Surface tension 556 ', '5 . Polarizability (10 -24cm 3)1753']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :135 ', '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: 40-43 °C(lit.)
MF: C7H4IN
Exact_Mass: 228.938828
FW: 229.018
Density: 1.9±0.1 g/cm3
More_Info: ['1 . Appearance Solid 。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)40-42 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)>110 ', '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 。']
Hazard_Class: 6.1
Risk_Statements(EU): R36/37/38
WGK_Germany: 3
Personal_Protective_Equipment: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR: 3439
Hazard_Codes: Xi:Irritant;
HS_Code: 2926909090
Safety_Statements: S36/37/39-S26-S37/39
Packing_Group: III

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