(1-isothiocyanatoethyl)benzene


Catalog No:   FT-0694119

CAS No:   24277-44-9

  • Molecular Formula:  163.24
  • Formula Weight: C9H9NS
  • Inchl Key: QQCJPTVZIZVKEZ-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,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: N/A
CAS: 24277-44-9
MF: C9H9NS
Flash_Point: 102.3ºC
Product_Name: [(1R)-1-isothiocyanatoethyl]benzene
Density: 1.06
FW: 163.23900
Bolling_Point: 246.4ºC at 760mmHg
Refractive_Index: 1.581
Vapor_Pressure: 0.0427mmHg at 25°C
Flash_Point: 102.3ºC
LogP: 2.85040
Bolling_Point: 246.4ºC at 760mmHg
PSA: 44.45000
Molecular_Structure: ['1 . Molar refractive index 5166 ', '2 . Molar volume (m3/mol)1613 ', '3 . Parachor (902K)3880 ', '4 . Surface tension 334 ', '5 . Polarizability (10 -24cm 3)2048']
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 :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF: C9H9NS
Exact_Mass: 163.04600
FW: 163.23900
Density: 1.06
More_Info: ['1 . Appearance Yellow Liquid ,刺激性气味 ', '2 . Density(g/mL,25/4℃)106 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,20mmhg)132-133 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index15810 ', '8 . Flash point(ºC)103 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kpa,20ºC)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']
Risk_Statements(EU): R36/37/38
RIDADR: UN 2810
Hazard_Codes: Xn
HS_Code: 2930909090
Safety_Statements: 22-26-45
Packing_Group: III

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