3-Pyridin-2-ylbenzoate supplier

Name
3-PYRID-2-YLBENZOIC ACID
EINECS
CAS No. 4467-07-6
Article Data9
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 207 °C
Formula C₁₂H₉NO₂
Boiling Point 409 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 201.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Pyridin-2-yl-benzoic acid;3-(3-Methoxypyridin-2-yl)benzoic acid;3-(3-Fluoropyridin-2-yl)benzoic acid;3-(3-Cyanopyridin-2-yl)benzoic acid;
PSA 50.19000
LogP 2.44680

3-Pyridin-2-ylbenzoate Specification

The CAS register number of 3-Pyridin-2-ylbenzoate is 4467-07-6. It also can be called as 3-(3-Fluoropyridin-2-yl)benzoic acid and the systematic name about this chemical is 3-Pyridin-2-ylbenzoic acid. The molecular formula about this chemical is C₁₂H₉NO₂ and the molecular weight is 199.21. It belongs to the following product category which includes API intermediates. This chemical is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

Physical properties about 3-Pyridin-2-ylbenzoate are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): -0.5; (4)ACD/BCF (pH 5.5): 1.06; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.44; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.86 cm³; (14)Molar Volume: 160.4 cm³; (15)Polarizability: 22.14x10^-24cm³; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 201.1 °C; (19)Enthalpy of Vaporization: 69.71 kJ/mol; (20)Boiling Point: 409 °C at 760 mmHg; (21)Vapour Pressure: 2.01E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1)c2ncccc2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
(3)InChIKey: IRXFQXMHMRTLIR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
(5)Std. InChIKey: IRXFQXMHMRTLIR-UHFFFAOYSA-N

Product Name

3-PYRID-2-YLBENZOIC ACID

3-Pyridin-2-ylbenzoate Specification

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