4-(2-Pyridyl)benzoic acid supplier

Name
4-(2-Pyridyl)benzoic acid
EINECS
CAS No. 4385-62-0
Article Data26
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 236.0 to 240.0 °C
Formula C₁₂H₉NO₂
Boiling Point 388.137 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 188.539 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, p-2-pyridyl- (7CI,8CI);4-(Pyridin-2-yl)benzoic acid;4-pyridin-2-ylbenzoic acid;
PSA 50.19000
LogP 2.44680

4-(2-Pyridyl)benzoic acid Specification

The 4-(2-Pyridyl)benzoic acid, with the cas registry number 4385-62-0 and EINECS registry number 229-859-1, is also called 4-(Pyridin-2-yl)benzoic acid. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₂H₉NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.427; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.455; (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: 50.19 Å²; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.866 cm³; (14)Molar Volume: 160.471 cm³; (15)Polarizability: 22.147×10^-24cm³; (16)Surface Tension: 54.95 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 188.539 °C; (19)Enthalpy of Vaporization: 67.218 kJ/mol; (20)Boiling Point: 388.137 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccnc(c1)c2ccc(cc2)C(=O)O
(2)InChI: InChI=1/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)
(3)InChIKey: AQIPNZHMXANQRC-UHFFFAOYAO

Product Name

4-(2-Pyridyl)benzoic acid

4-(2-Pyridyl)benzoic acid Specification

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