3-BROMOPROPYL ISOTHIOCYANATE

Catalog No: FT-0634498

CAS No: 2799-73-7

Chemical Name: 3-BROMOPROPYL ISOTHIOCYANATE
Molecular Formula: C4H6BrNS
Molecular Weight: 180.07
InChI Key: RIUVKCFFZBZEHS-UHFFFAOYSA-N
InChI: InChI=1S/C4H6BrNS/c5-2-1-3-6-4-7/h1-3H2

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:	3-Bromopropyl isothiocyanate
Flash_Point:	93.5ºC
Melting_Point:	N/A
FW:	180.06600
Density:	1,54 g/cm3
CAS:	2799-73-7
Bolling_Point:	128 °C
MF:	C4H6BrNS

Molecular_Structure:	['1 . Molar refractive index 3891 ', '2 . Molar volume （m3/mol）1224 ', '3 . Parachor （902K）3008 ', '4 . Surface tension 365 ', '5 . Polarizability 1542']
LogP:	1.87420
Flash_Point:	93.5ºC
Refractive_Index:	1.548
FW:	180.06600
Density:	1,54 g/cm3
Bolling_Point:	128 °C
Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :778 ', '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']
PSA:	44.45000
MF:	C4H6BrNS
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）154 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）128 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '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']
Vapor_Pressure:	0.0969mmHg at 25°C
Exact_Mass:	178.94000