FT-0614701 CAS:39101-54-7 chemical structure

3,5-Dimethylphenylacetonitrile

Name: 3,5-Dimethylphenylacetonitrile
Rating: 4.5 (11 reviews)

Catalog No: FT-0614701

CAS No: 39101-54-7

Molecular Formula: 145.2
Formula Weight: C10H11N
Inchl Key: LMUKNQSVBFEUKR-UHFFFAOYSA-N
Inchl: InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3

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

Melting_Point:	41-44°C
CAS:	39101-54-7
MF:	C10H11N
Flash_Point:	170°C/20mm
Product_Name:	3,5-Dimethylphenylacetonitrile
Density:	0.979 g/cm3
FW:	145.20100
Bolling_Point:	170°C 20mm

Refractive_Index:	1.524
Flash_Point:	170°C/20mm
LogP:	2.36948
Bolling_Point:	170°C 20mm
FW:	145.20100
PSA:	23.79000
Computational_Chemistry:	['1. XlogP :23 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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:	41-44°C
MF:	C10H11N
Exact_Mass:	145.08900
Density:	0.979 g/cm3
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）40 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC, 22mm hg）170 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）170°C/20mm ', '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']