METHYL 3-ISOTHIOCYANATOPROPIONATE


Catalog No:   FT-0615938

CAS No:   18967-35-6

  • Molecular Formula:  145.18
  • Formula Weight: C5H7NO2S
  • Inchl Key: VLIJIUDWAKBKSO-UHFFFAOYSA-N
  • Inchl: InChI=1S/C5H7NO2S/c1-8-5(7)2-3-6-4-9/h2-3H2,1H3

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: 18967-35-6
MF: C5H7NO2S
Flash_Point: 90.5ºC
Product_Name: methyl 3-isothiocyanatopropanoate
Density: 1.18
FW: 145.18000
Bolling_Point: 226ºC at 760 mmHg
Refractive_Index: 1.513
Vapor_Pressure: 0.0837mmHg at 25°C
Flash_Point: 90.5ºC
LogP: 0.65230
Bolling_Point: 226ºC at 760 mmHg
FW: 145.18000
PSA: 70.75000
Computational_Chemistry: ['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 708 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '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']
MF: C5H7NO2S
Exact_Mass: 145.02000
Molecular_Structure: ['1 . Molar refractive index 3802 ', '2 . Molar volume (m3/mol)1290 ', '3 . Parachor (902K)3132 ', '4 . Surface tension 346 ', '5 . Polarizability 1507']
Density: 1.18
More_Info: ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)118 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)40 ', '6 . Boiling point(ºC, 52kPa)不确定 ', '7 . Refractive index15130 ', '8 . Flash point(ºC,10mmHg)91-92 ', '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;R34
RIDADR: UN 2927
Safety_Statements: S26-S36/37/39-S45
HS_Code: 2930909090
Packing_Group: II

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