3-(4-Pyridinyl)benzoic acid

Catalog No: FT-0687406

CAS No: 4385-78-8

Molecular Formula: 198.2
Formula Weight: C12H8NO2-
Inchl Key: IYGIZNZSONLPSI-UHFFFAOYSA-M
Inchl: InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)/p-1

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

Base Information
Chemical Information

Melting_Point:	268ºC
CAS:	4385-78-8
MF:	C12H9NO2
Flash_Point:	198.7±24.0 °C
Product_Name:	3-(Pyridin-4-yl)benzoic acid
Density:	1.2±0.1 g/cm3
FW:	199.205
Bolling_Point:	405.0±28.0 °C at 760 mmHg

Refractive_Index:	1.613
Vapor_Pressure:	0.0±1.0 mmHg at 25°C
Flash_Point:	198.7±24.0 °C
LogP:	2.45
Bolling_Point:	405.0±28.0 °C at 760 mmHg
PSA:	50.19000
Molecular_Structure:	['1 . Molar refractive index 5586 ', '2 . Molar volume （m3/mol）1604 ', '3 . Parachor （902K）4369 ', '4 . Surface tension 549 ', '5 . Polarizability （10 -24cm 3）2214']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 502 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :224 ', '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:	268ºC
MF:	C12H9NO2
Exact_Mass:	199.063324
FW:	199.205
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 1mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']