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3-bromo-4,5-dimethoxybenzonitrile

Catalog No: FT-0769563

CAS No: 781654-31-7

Chemical Name: 3-bromo-4,5-dimethoxybenzonitrile
Molecular Formula: C9H8BrNO2
Molecular Weight: 242.07
InChI Key: PTCVIEQABWPBTA-UHFFFAOYSA-N
InChI: InChI=1S/C9H8BrNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,1-2H3

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

Bolling_Point:	291.1ºC at 760 mmHg
CAS:	781654-31-7
MF:	C9H8BrNO2
Density:	1.53g/cm3
Melting_Point:	N/A
Product_Name:	3-bromo-4,5-dimethoxybenzonitrile
Flash_Point:	129.9ºC
FW:	242.06900

MF:	C9H8BrNO2
Density:	1.53g/cm3
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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']
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º F）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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']
Exact_Mass:	240.97400
Flash_Point:	129.9ºC
PSA:	42.25000
LogP:	2.33798
Bolling_Point:	291.1ºC at 760 mmHg
FW:	242.06900
Refractive_Index:	1.569