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3-BROMOBUTYRONITRILE

Catalog No: FT-0638068

CAS No: 20965-20-2

Chemical Name: 3-BROMOBUTYRONITRILE
Molecular Formula: C4H6BrN
Molecular Weight: 148
InChI Key: MBXSHBIQMDKTEW-UHFFFAOYSA-N
InChI: InChI=1S/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3

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:	3-bromobutanenitrile
Flash_Point:	72.1ºC
Melting_Point:	N/A
FW:	148.00100
Density:	1.47 g/cm3
CAS:	20965-20-2
Bolling_Point:	72ºC 1,3mm
MF:	C4H6BrN

Molecular_Structure:	['1 . Molar refractive index 2818 ', '2 . Molar volume (cm3/mol)1015 ', '3 . Parachor (902K)2491 ', '4 表面张力(dyne/cm)362 ', '5 . Polarizability (10-24cm3)1117']
LogP:	1.68348
Flash_Point:	72.1ºC
Refractive_Index:	1.467
FW:	148.00100
Density:	1.47 g/cm3
Bolling_Point:	72ºC 1,3mm
Computational_Chemistry:	['1. XlogP :11 ', '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 :709 ', '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']
PSA:	23.79000
MF:	C4H6BrN
More_Info:	['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）147 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）72 ', '6. Boiling point（ºC,52kPa）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（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）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']
Vapor_Pressure:	0.416mmHg at 25°C
Exact_Mass:	146.96800