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1-isothiocyanatoethylbenzene

Catalog No: FT-0720875

CAS No: 4478-92-6

Chemical Name: 1-isothiocyanatoethylbenzene
Molecular Formula: C9H9NS
Molecular Weight: 163.24
InChI Key: QQCJPTVZIZVKEZ-UHFFFAOYSA-N
InChI: InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	Benzene,(1-isothiocyanatoethyl)
MF:	C9H9NS
Bolling_Point:	246.4ºC at 760mmHg
Density:	1.06
FW:	163.23900
Melting_Point:	N/A
Flash_Point:	102.3ºC
CAS:	4478-92-6

MF:	C9H9NS
Bolling_Point:	246.4ºC at 760mmHg
Exact_Mass:	163.04600
More_Info:	['1 . Appearance Yellow to 棕色Liquid ', '2 . Density（g/ml, 20°C ）106 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,20mmHg）132-133 ', '7 . Refractive index不确定 ', '8 . Flash point（ºF）不确定 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）103 ', '11 . Vapor pressure（kPa,20ºC）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 Water 解']
PSA:	44.45000
Flash_Point:	102.3ºC
Density:	1.06
Molecular_Structure:	['1 . Molar refractive index 5166 ', '2 . Molar volume （m3/mol）1613 ', '3 . Parachor （902K）3880 ', '4 . Surface tension 334 ', '5 . Polarizability （10 -24cm 3）2048']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
FW:	163.23900
LogP:	2.85040
Refractive_Index:	1.581