2-CHLOROBENZYL ISOTHIOCYANATE


Catalog No:   FT-0611926

CAS No:   18967-44-7

  • Molecular Formula:  183.66
  • Formula Weight: C8H6ClNS
  • Inchl Key: RMVDNJDSLXQPAV-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Flash_Point: 137-138°C/6mm
FW: 183.65800
Bolling_Point: 138 °C
Product_Name: 1-chloro-2-(isothiocyanatomethyl)benzene
CAS: 18967-44-7
MF: C8H6ClNS
Melting_Point: N/A
Density: 1,26 g/cm3
PSA: 44.45000
Bolling_Point: 138 °C
Molecular_Structure: ['1 . Molar refractive index 5184 ', '2 . Molar volume (m3/mol)1554 ', '3 . Parachor (902K)3858 ', '4 . Surface tension 379 ', '5 . Polarizability 2055']
LogP: 2.94280
More_Info: ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)126 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)138 ', '6 . Boiling point(ºC, 52kPa)不确定 ', '7 . Refractive index16140 ', '8 . Flash point(ºC,6mmHg)137-138 ', '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']
MF: C8H6ClNS
Computational_Chemistry: ['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 124 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 166 ', '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']
Refractive_Index: 1.6140
Flash_Point: 137-138°C/6mm
FW: 183.65800
Exact_Mass: 182.99100
Vapor_Pressure: 0.0071mmHg at 25°C
Density: 1,26 g/cm3
Hazard_Codes: T: Toxic;
RTECS: NX8460000
RIDADR: 2810
Packing_Group: II
HS_Code: 2930909090
Hazard_Class: 6.1
Safety_Statements: S26-S36/37/39
Risk_Statements(EU): R20/21/22;R36/37/38

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