4-BROMO-2-METHYLPHENYL ISOTHIOCYANATE


Catalog No:   FT-0617793

CAS No:   19241-38-4

  • Molecular Formula:  228.11
  • Formula Weight: C8H6BrNS
  • Inchl Key: YASXCQRGYJGIKD-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6BrNS/c1-6-4-7(9)2-3-8(6)10-5-11/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
Melting_Point: 45 °C
CAS: 19241-38-4
MF: C8H6BrNS
Flash_Point: 129-130°C/3mm
Product_Name: 4-bromo-1-isothiocyanato-2-methylbenzene
Density: 1.44g/cm3
FW: 228.10900
Bolling_Point: 130 °C
Refractive_Index: 1.608
Vapor_Pressure: 0.00128mmHg at 25°C
Flash_Point: 129-130°C/3mm
LogP: 3.49180
Bolling_Point: 130 °C
PSA: 44.45000
Molecular_Structure: ['1 . Molar refractive index 5461 ', '2 . Molar volume (m3/mol)1577 ', '3 . Parachor (902K)3930 ', '4 . Surface tension 384 ', '5 . Polarizability 2165']
Computational_Chemistry: ['1. XlogP :44 ', '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 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :177 ', '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: 45 °C
MF: C8H6BrNS
Exact_Mass: 226.94000
FW: 228.10900
Density: 1.44g/cm3
More_Info: ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)45 ', '5 . Boiling point(ºC,Atmospheric pressure)130 ', '6 . Boiling point(ºC, 52kPa)不确定 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)129 -130°C / 3mm ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)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']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22;R36/37/38
RIDADR: 2811
Safety_Statements: S26-S36/37/39
HS_Code: 2930909090
Packing_Group: III

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