Product_Name:	1-(3-isothiocyanatophenyl)ethanone
Flash_Point:	135-136°C/2mm
Melting_Point:	26 °C
FW:	177.22300
Density:	N/A
CAS:	3125-71-1
Bolling_Point:	136 °C
MF:	C9H7NOS

Molecular_Structure:	['1 . Molar refractive index 5251 ', '2 . Molar volume （m3/mol）1586 ', '3 . Parachor （902K）3937 ', '4 . Surface tension 379 ', '5 . Polarizability 2081']
Flash_Point:	135-136°C/2mm
Refractive_Index:	1.648
FW:	177.22300
Bolling_Point:	136 °C
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 615 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :221 ', '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']
LogP:	2.62350
Melting_Point:	26 °C
PSA:	61.52000
MF:	C9H7NOS
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）26 5 . Boiling point（ ºC, Atmospheric pressure）136 6 . Boiling point（ ºC,52kPa ）无可用 ', '7 . Refractive index1648 ', '8 . Flash point（ºC）136 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	177.02500

Hazard_Codes:	Xi: Irritant;
Risk_Statements(EU):	R20/21/22;R36/37/38
Packing_Group:	III
Hazard_Class:	6.1
RIDADR:	2810
HS_Code:	2930909090
Safety_Statements:	S26-S36/37/39