Butyrylferrocene

Catalog No: FT-0657723

CAS No: 1271-94-9

Chemical Name: Butyrylferrocene
Molecular Formula: C14H16FeO-6
Molecular Weight: 256.12 g/mol
InChI Key: QVSINQAXSOSRQQ-UHFFFAOYSA-N
InChI: InChI=1S/C9H11O.C5H5.Fe/c1-2-5-9(10)8-6-3-4-7-8;1-2-4-5-3-1;/h3-4,6-7H,2,5H2,1H3;1-5H;/q-1;-5;

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:	Butyrylferrocene
Flash_Point:	88.1ºC
Melting_Point:	36-40ºC
FW:	256.121
Density:	1.254
CAS:	1271-94-9
Bolling_Point:	329ºC
MF:	C14H16FeO

Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 256055057 Da ', '8. Nominal mass 256 Da ', '9. Average mass 2561212 Da']
Flash_Point:	88.1ºC
FW:	256.121
Density:	1.254
Bolling_Point:	329ºC
Computational_Chemistry:	['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 165 ', '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:	2.77990
Melting_Point:	36-40ºC
PSA:	17.07000
MF:	C14H16FeO
More_Info:	['1 . Appearance 深橙色Liquid ', '2 . Density（g/mL,25℃）1254 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）37-40 ', '5 . Boiling point（ºC,Atmospheric pressure）329 ', '6 . Boiling point（ºC,25mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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 难溶解于Water 的']
Vapor_Pressure:	0.0758mmHg at 25°C
Exact_Mass:	256.055054