4-[4-(2-CARBOXYBENZOYL)PHENYL]BUTYRIC ACID

Catalog No: FT-0641783

CAS No: 80866-86-0

Chemical Name: 4-[4-(2-CARBOXYBENZOYL)PHENYL]BUTYRIC ACID
Molecular Formula: C18H16O5
Molecular Weight: 312.3 g/mol
InChI Key: PBCSZTCIOAKNOF-UHFFFAOYSA-N
InChI: InChI=1S/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23)

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:	2-[4-(3-carboxypropyl)benzoyl]benzoic acid
Flash_Point:	315.8ºC
Melting_Point:	151-154ºC(lit.)
FW:	312.31700
Density:	1.298g/cm3
CAS:	80866-86-0
Bolling_Point:	575.3ºC at 760 mmHg
MF:	C18H16O5

Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 8335 ', '2 . Molar volume （m3/mol）2405 ', '3 . Parachor （902K）6669 ', '4 . Surface tension 591 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 3304']
Flash_Point:	315.8ºC
Refractive_Index:	1.609
FW:	312.31700
Density:	1.298g/cm3
Bolling_Point:	575.3ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :4 ', '6. TPSA 917 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :437 ', '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:	3.02310
Melting_Point:	151-154ºC(lit.)
PSA:	91.67000
MF:	C18H16O5
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）151-154 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:	312.10000

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR:	NONH for all modes of transport
HS_Code:	2918300090