2-METHYL-5-NITROBENZONITRILE

Catalog No: FT-0612981

CAS No: 939-83-3

Molecular Formula: 162.15
Formula Weight: C8H6N2O2
Inchl Key: XOSDYLFXPMFRGF-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3

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

Symbol:	GHS07
CAS:	939-83-3
Flash_Point:	130.1±24.0 °C
Product_Name:	2-Methyl-5-nitrobenzonitrile
Bolling_Point:	291.5±28.0 °C at 760 mmHg
FW:	162.145
Melting_Point:	103.5-107.5 °C(lit.)
MF:	C8H6N2O2
Density:	1.3±0.1 g/cm3

Refractive_Index:	1.568
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Flash_Point:	130.1±24.0 °C
LogP:	1.63
Bolling_Point:	291.5±28.0 °C at 760 mmHg
PSA:	69.61000
Molecular_Structure:	['1 . Molar refractive index 4197 ', '2 . Molar volume （m3/mol）1282 ', '3 . Parachor （902K）3483 ', '4 . Surface tension 543 ', '5 . Polarizability （10 -24cm 3）1664']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 696 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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']
Melting_Point:	103.5-107.5 °C(lit.)
MF:	C8H6N2O2
Exact_Mass:	162.042923
FW:	162.145
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1035-1075°C ', '5 . Boiling point（ºC,Atmospheric pressure）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 ', '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']

Symbol:	GHS07
RIDADR:	3276
HS_Code:	2926909090
Packing_Group:	III
Hazard_Class:	6.1
Risk_Statements(EU):	R20/21/22
WGK_Germany:	3
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi: Irritant;
Warning_Statement:	P261-P305 + P351 + P338
Safety_Statements:	H315-H319-H335