3,4-DICHLOROBENZYL ISOTHIOCYANATE


Catalog No:   FT-0614216

CAS No:   18967-42-5

  • Molecular Formula:  218.1
  • Formula Weight: C8H5Cl2NS
  • Inchl Key: DPSSHXWTNIGVMQ-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 1,2-dichloro-4-(isothiocyanatomethyl)benzene
Bolling_Point: 130ºC 1mm
Density: 1.38
MF: C8H5Cl2NS
CAS: 18967-42-5
Melting_Point: 26-28ºC
Flash_Point: 142.7ºC
FW: 218.10300
MF: C8H5Cl2NS
Bolling_Point: 130ºC 1mm
Exact_Mass: 216.95200
More_Info: ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)138 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)26-28 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC, 1mmHg)130 ', '7 . Refractive index16295 ', '8 . Flash point(ºC,1mmHg)130 ', '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']
Melting_Point: 26-28ºC
PSA: 44.45000
Flash_Point: 142.7ºC
Refractive_Index: 1.6295
Density: 1.38
Molecular_Structure: ['1 . Molar refractive index 5644 ', '2 . Molar volume (m3/mol)1647 ', '3 . Parachor (902K)4146 ', '4 . Surface tension 401 ', '5 . Polarizability 2237']
Computational_Chemistry: ['1 . XlogP 49 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 124 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 192 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
FW: 218.10300
LogP: 3.59620
Vapor_Pressure: 0.000978mmHg at 25°C
Risk_Statements(EU): R20/21/22;R36/37/38
Hazard_Class: 6.1
HS_Code: 2930909090
Packing_Group: II
Safety_Statements: S26-S36/37/39
RIDADR: UN 2811

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