5-Bromo-2-methoxybenzonitrile

Catalog No: FT-0679453

CAS No: 144649-99-0

Chemical Name: 5-Bromo-2-methoxybenzonitrile
Molecular Formula: C8H6BrNO
Molecular Weight: 212.04
InChI Key: LOASAXVECBZCRJ-UHFFFAOYSA-N
InChI: InChI=1S/C8H6BrNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,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

Symbol:	Warning
FW:	212.043
Density:	1.6±0.1 g/cm3
CAS:	144649-99-0
Bolling_Point:	287.8±20.0 °C at 760 mmHg
Product_Name:	5-Bromo-2-methoxybenzonitrile
Melting_Point:	92ºC
Flash_Point:	127.9±21.8 °C
MF:	C8H6BrNO

Molecular_Structure:	['1. Molar refractive index 454 ', '2. Molar volume 1356 ', '3. Parachor （902K）3626 ', '4. Surface tension 511 ', '5. Dielectric constant N/A ', '6. Polarizability 18 ', '7. Single isotope mass 210963269 Da ', '8. Nominal mass 211 Da ', '9. Average mass 2120433 Da']
Flash_Point:	127.9±21.8 °C
Refractive_Index:	1.584
FW:	212.043
Density:	1.6±0.1 g/cm3
Bolling_Point:	287.8±20.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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']
LogP:	2.61
Melting_Point:	92ºC
PSA:	33.02000
MF:	C8H6BrNO
More_Info:	['1 . Appearance Solid 2 . Density（g/mL,20/4 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）92 ', '5 . Boiling point（ºC）Unknow ', '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的 ', '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:	0.0±0.6 mmHg at 25°C
Exact_Mass:	210.963272

Hazard_Codes:	Xn
Symbol:	Warning
Packing_Group:	III
Hazard_Class:	6.1
Warning_Statement:	P280
HS_Code:	2926909090
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Risk_Statements(EU):	R20/21/22
Safety_Statements:	S36/37
RIDADR:	UN3439