2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE


Catalog No:   FT-0611785

CAS No:   57878-93-0

  • Molecular Formula:  183.66
  • Formula Weight: C8H6ClNS
  • Inchl Key: UIZZXGXTVVWRED-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6ClNS/c1-6-2-3-8(10-5-11)7(9)4-6/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
Bolling_Point: 138ºC/20mm
MF: C8H6ClNS
Density: 1.18g/cm3
FW: 183.65800
Product_Name: 2-chloro-1-isothiocyanato-4-methylbenzene
CAS: 57878-93-0
Flash_Point: 127.3ºC
Melting_Point: N/A
Bolling_Point: 138ºC/20mm
LogP: 3.38270
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/cm3,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC, Atmospheric pressure)138 ', '6 . Boiling point(ºC,52kPa)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(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 (25℃)Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Water Unknow']
Computational_Chemistry: ['1. XlogP :43 ', '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']
Exact_Mass: 182.99100
MF: C8H6ClNS
Density: 1.18g/cm3
Refractive_Index: 1.583
PSA: 44.45000
Flash_Point: 127.3ºC
Molecular_Structure: ['1 . Molar refractive index 5165 ', '2 . Molar volume (m3/mol)1545 ', '3 . Parachor (902K)3783 ', '4 . Surface tension 359 ', '5 . Polarizability 2047']
FW: 183.65800
Safety_Statements: S26-S36/37/39
HS_Code: 2930909090
Hazard_Codes: Xn:Harmful;
Risk_Statements(EU): R20/21/22;R36/37/38

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