2-(4-Biphenylylcarbonyl)benzoic Acid supplier

Name
o-(4-Biphenylylcarbonyl)benzoic acid
EINECS 200-258-5
CAS No. 42797-18-2
Article Data16
CAS DataBase
Density 1.232 g/cm³
Solubility
Melting Point 225-227 °C
Formula C₂₀H₁₄O₃
Boiling Point 539.3 °C at 760 mmHg
Molecular Weight 302.329
Flash Point 294.1 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms 2-(4-Phenylbenzoyl)benzoic acid;o-(4-Phenylbenzoyl)benzoic acid;o-(4-Biphenylylcarbonyl)benzoic acid;
PSA 54.37000
LogP 4.28280

2-(4-Biphenylylcarbonyl)benzoic Acid Specification

The Benzoic acid, o-(4-biphenylylcarbonyl)-, with the CAS registry number 42797-18-2, is also known as 2-(Biphenyl-4-ylcarbonyl)benzoic acid. This chemical's molecular formula is C₂₀H₁₄O₃ and molecular weight is 302.32. What's more, its IUPAC name is 2-(4-Phenylbenzoyl)benzoic acid.

Physical properties about Benzoic acid, o-(4-biphenylylcarbonyl)- are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 11.56; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 50.06; (8)ACD/KOC (pH 7.4): 5.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 87.56 cm³; (15)Molar Volume: 245.3 cm³; (16)Polarizability: 34.71×10^-24 cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 294.1 °C; (20)Enthalpy of Vaporization: 85.96 kJ/mol; (21)Boiling Point: 539.3 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccccc1C(=O)c3ccc(c2ccccc2)cc3
(2) InChI: InChI=1/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)
(3) InChIKey: NBYNVBRXIUUSIG-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 107, 1952.

Product Name

o-(4-Biphenylylcarbonyl)benzoic acid

2-(4-Biphenylylcarbonyl)benzoic Acid Specification

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