Benzoic acid,2-(3-pyridinyl)- supplier

Name
2-(3'-PYRIDYL)BENZOIC ACID
EINECS
CAS No. 134363-45-4
Article Data9
CAS DataBase
Density 1.241g/cm³
Solubility
Melting Point 188 °C
Formula C₁₂H₉NO₂
Boiling Point 367.3 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 176 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(3-Pyridinyl)benzoicacid;2-(3-Pyridyl)benzoic acid;
PSA 50.19000
LogP 2.44680

Benzoic acid,2-(3-pyridinyl)- Specification

The Benzoic acid,2-(3-pyridinyl)-, with CAS registry number 134363-45-4, has the systematic name of 2-pyridin-3-ylbenzoic acid. Besides this, it is also called 2-(3'-Pyridyl)benzoic acid. And the chemical formula of this chemical is C₁₂H₉NO₂.

Physical properties of Benzoic acid,2-(3-pyridinyl)-: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -1.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 55.86 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 22.14×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 64.77 kJ/mol; (21)Boiling Point: 367.3 °C at 760 mmHg; (22)Vapour Pressure: 4.82E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1c2cccnc2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
(3)InChIKey: DRGNPLUCFXKUAL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
(5)Std. InChIKey: DRGNPLUCFXKUAL-UHFFFAOYSA-N

Product Name

2-(3'-PYRIDYL)BENZOIC ACID

Benzoic acid,2-(3-pyridinyl)- Specification

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