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2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&

Catalog No: FT-0656844

CAS No: 177281-34-4

Chemical Name: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&
Molecular Formula: C26H40N2O2
Molecular Weight: 412.6
InChI Key: LDZVSSLTZXUFQD-UHFFFAOYSA-N
InChI: InChI=1S/C26H40N2O2/c1-3-5-7-9-11-13-19-29-25-21-24(16-18-28)26(22-23(25)15-17-27)30-20-14-12-10-8-6-4-2/h21-22H,3-16,19-20H2,1-2H3

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

Symbol:	Warning
FW:	412.60800
Density:	0.98 g/cm3
CAS:	177281-34-4
Bolling_Point:	554.6ºC at 760 mmHg
Product_Name:	2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile
Melting_Point:	96.5-101.2ºC(lit.)
Flash_Point:	185.5ºC
MF:	C26H40N2O2

Molecular_Structure:	['1 . Molar refractive index 12339 ', '2 . Molar volume （m3/mol）4209 ', '3 . Parachor （902K）10473 ', '4 . Surface tension 383 ', '5 . Polarizability （10 -24cm 3）4891']
LogP:	7.29736
Flash_Point:	185.5ºC
FW:	412.60800
Density:	0.98 g/cm3
Bolling_Point:	554.6ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :8 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :18 ', '5. Isotope Atom Count :N/A ', '6. TPSA 66 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :458 ', '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:	96.5-101.2ºC(lit.)
PSA:	66.04000
MF:	C26H40N2O2
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）965-1012 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，002mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
Exact_Mass:	412.30900

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	R20/21/22
Safety_Statements:	36/37
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P280