4-Methylsulfonylbenzonitrile

Catalog No: FT-0676470

CAS No: 22821-76-7

Chemical Name: 4-Methylsulfonylbenzonitrile
Molecular Formula: C8H7NO2S
Molecular Weight: 181.21
InChI Key: FARXIDYHJAANGP-UHFFFAOYSA-N
InChI: InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,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:	4-(Methylsulfonyl)benzonitrile
Bolling_Point:	385.8ºC at 760 mmHg
Density:	1.32 g/cm3
MF:	C8H7NO2S
CAS:	22821-76-7
Melting_Point:	137-142 °C
Flash_Point:	187.1ºC
FW:	181.21200

MF:	C8H7NO2S
Bolling_Point:	385.8ºC at 760 mmHg
Exact_Mass:	181.02000
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）137-142 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Melting_Point:	137-142 °C
PSA:	66.31000
Flash_Point:	187.1ºC
Refractive_Index:	1.57
Density:	1.32 g/cm3
Molecular_Structure:	['1 . Molar refractive index 4476 ', '2 . Molar volume （m3/mol）1362 ', '3 . Parachor （902K）3709 ', '4 . Surface tension 549 ', '5 . Polarizability （10 -24cm 3）1774']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 663 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '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']
FW:	181.21200
LogP:	2.04258
Vapor_Pressure:	3.7E-06mmHg at 25°C

Risk_Statements(EU):	20/21/22
Hazard_Codes:	Xn: Harmful;
HS_Code:	2926909090
Safety_Statements:	S24/25

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