FT-0618096 CAS:127142-66-9 chemical structure

4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE

Name: 4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0618096

CAS No: 127142-66-9

Molecular Formula: 214.63
Formula Weight: C7H3ClN2O2S
Inchl Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N
Inchl: InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(9-4-13)3-7(6)10(11)12/h1-3H

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	64 °C
CAS:	127142-66-9
MF:	C7H3ClN2O2S
Flash_Point:	159.6ºC
Product_Name:	1-chloro-4-isothiocyanato-2-nitrobenzene
Density:	1.48g/cm3
FW:	214.62900
Bolling_Point:	340.2ºC at 760mmHg

Refractive_Index:	1.651
Vapor_Pressure:	0.000172mmHg at 25°C
Flash_Point:	159.6ºC
LogP:	3.50570
Bolling_Point:	340.2ºC at 760mmHg
PSA:	90.27000
Molecular_Structure:	['1. Molar refractive index 5289 ', '2. Molar volume 1448 ', '3. Parachor （902K）3926 ', '4. Surface tension 54 ', '5. Dielectric constant N/A ', '6. Polarizability 2096 ', '7. Single isotope mass 213960375 Da ', '8. Nominal mass 214 Da ', '9. Average mass 2146289 Da']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 903 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :249 ', '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']
Melting_Point:	64 °C
MF:	C7H3ClN2O2S
Exact_Mass:	213.96000
FW:	214.62900
Density:	1.48g/cm3
More_Info:	['1 . Appearance 有刺激性气味的Yellow 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）95-99 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']