3-Bromo-4-methoxybenzonitrile


Catalog No:   FT-0615164

CAS No:   117572-79-9

  • Molecular Formula:  212.04
  • Formula Weight: C8H6BrNO
  • Inchl Key: QHWZMDRKTYTPEE-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS07
CAS: 117572-79-9
Flash_Point: 124.9±21.8 °C
Product_Name: 3-Bromo-4-methoxybenzonitrile
Bolling_Point: 282.8±20.0 °C at 760 mmHg
FW: 212.043
Melting_Point: 122-124 °C(lit.)
MF: C8H6BrNO
Density: 1.6±0.1 g/cm3
Refractive_Index: 1.584
Vapor_Pressure: 0.0±0.6 mmHg at 25°C
Flash_Point: 124.9±21.8 °C
LogP: 2.15
Bolling_Point: 282.8±20.0 °C at 760 mmHg
PSA: 33.02000
Molecular_Structure: ['1. Molar refractive index 454 ', '2. Molar volume 1356 ', '3. Parachor (902K)3626 ', '4. Surface tension 511 ', '5. Dielectric constant N/A ', '6. Polarizability 18 ', '7. Single isotope mass 210963269 Da ', '8. Nominal mass 211 Da ', '9. Average mass 2120433 Da']
Computational_Chemistry: ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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: 122-124 °C(lit.)
MF: C8H6BrNO
Exact_Mass: 210.963272
FW: 212.043
Density: 1.6±0.1 g/cm3
More_Info: ['1 . Appearance 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)122-124 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)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(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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']
Symbol: GHS07
RIDADR: 3439
HS_Code: 2926909090
Packing_Group: III
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22;R36/37/38
WGK_Germany: 3
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes: Xn:Harmful;
Warning_Statement: P261-P280-P305 + P351 + P338
Safety_Statements: H302-H312-H315-H319-H332-H335

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