Benzoic acid, o- (o-toluoyl)- supplier

Name
2-(2-methylbenzoyl)benzoic acid
EINECS
CAS No. 5469-51-2
Article Data7
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂O₃
Boiling Point 419.1 °C at 760 mmHg
Molecular Weight 240.258
Flash Point 221.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2- (2-methylbenzoyl)-.;
PSA 54.37000
LogP 2.92420

Benzoic acid, o- (o-toluoyl)- Specification

The Benzoic acid, o- (o-toluoyl)-, with the CAS registry number of 5469-51-2, is also known as Benzoic acid, 2- (2-methylbenzoyl)-. This chemical's molecular formula is C₁₅H₁₂O₃ and molecular weight is 240.253980. What's more, its IUPAC name is 2-(2-Methylbenzoyl)benzoic acid.

Physical properties about the Benzoic acid, o- (o-toluoyl)- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 67.8 cm³; (14)Molar Volume: 196.3 cm³; (15)Surface Tension: 51.7 dyne/cm; (16)Density: 1.223 g/cm³; (17)Flash Point: 221.4 °C; (18)Enthalpy of Vaporization: 70.93 kJ/mol; (19)Boiling Point: 419.1 °C at 760 mmHg; (20)Vapour Pressure: 8.97E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1C)c2ccccc2C(=O)O
(2) InChI: InChI=1/C15H12O3/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15(17)18/h2-9H,1H3,(H,17,18)
(3) InChIKey: FYDVJEVAEUYKOB-UHFFFAOYAH

Product Name

2-(2-methylbenzoyl)benzoic acid

Benzoic acid, o- (o-toluoyl)- Specification

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