FT-0609528 CAS:4554-16-9 chemical structure

2,3-Dibromopropionitrile

Name: 2,3-Dibromopropionitrile
Rating: 4.5 (11 reviews)

Catalog No: FT-0609528

CAS No: 4554-16-9

Molecular Formula: 212.87
Formula Weight: C3H3Br2N
Inchl Key: ARRIEYYNOLTVTE-UHFFFAOYSA-N
Inchl: InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2

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

FW:	212.87100
Bolling_Point:	173°C
MF:	C3H3Br2N
Flash_Point:	172°F
Product_Name:	2,3-Dibromo-propionitrile
Density:	2.14
CAS:	4554-16-9
Melting_Point:	N/A

Computational_Chemistry:	['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :721 ', '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']
Flash_Point:	172°F
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL ,25/4℃）2140 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）173 ', '6 . Boiling point（ºC,8mmHg）不确定 ', '7 . Refractive index15452 ', '8 . Flash point（ºC）77 ', '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']
PSA:	23.79000
Density:	2.14
Refractive_Index:	1.545
FW:	212.87100
LogP:	1.66838
Bolling_Point:	173°C
MF:	C3H3Br2N
Exact_Mass:	210.86300
Molecular_Structure:	['1 . Molar refractive index 3128 ', '2 . Molar volume 981 ', '3 . Parachor （902K）2614 ', '4 . Surface tension 503 ', '5 . Polarizability 1240']