4-Pyridinecarboxylicacid, 2-phenyl- supplier

Name
2-PHENYL-ISONICOTINIC ACID
EINECS 200-258-5
CAS No. 55240-51-2
Article Data14
CAS DataBase
Density 1.241g/cm³
Solubility
Melting Point 270-271 °C
Formula C₁₂H₉NO₂
Boiling Point 478.8 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 243.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Isonicotinicacid, 2-phenyl- (6CI);2-Phenylisonicotinic acid;2-Phenylpyridine-4-carboxylicacid;
PSA 50.19000
LogP 2.44680

4-Pyridinecarboxylicacid, 2-phenyl- Specification

The 4-Pyridinecarboxylicacid, 2-phenyl-, with CAS registry number 55240-51-2, belongs to the following product categories: (1)Carboxylic Acids; (2)Pyridines; (3)API intermediates. It has the systematic name of 2-phenylpyridine-4-carboxylic acid. And the chemical formula of this chemical is C₁₂H₉NO₂.

Physical properties of 4-Pyridinecarboxylicacid, 2-phenyl-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.28; (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: 243.4 °C; (20)Enthalpy of Vaporization: 78.27 kJ/mol; (21)Boiling Point: 478.8 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccnc(c1ccccc1)c2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3)InChIKey: OMMKWOVBOKXXQU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(5)Std. InChIKey: OMMKWOVBOKXXQU-UHFFFAOYSA-N

Product Name

2-PHENYL-ISONICOTINIC ACID

4-Pyridinecarboxylicacid, 2-phenyl- Specification

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