Benzoic acid,4-(3-pyridinyl)- supplier

Name
4-PYRIDIN-3-YL-BENZOIC ACID
EINECS 256-495-9
CAS No. 4385-75-5
Article Data12
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 271-274 °C
Formula C₁₂H₉NO₂
Boiling Point 398.8 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 195 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3-Pyridinyl)benzoic acid;4-Pyrid-3-ylbenzoic acid;Benzoicacid, p-3-pyridyl- (7CI);
PSA 50.19000
LogP 2.44680

Benzoic acid,4-(3-pyridinyl)- Specification

The Benzoic acid,4-(3-pyridinyl)-, with the CAS registry number 4385-75-5, is also known as 4-(3'-Pyridyl)benzoic acid. It belongs to the product categories ofPpharmacetical; API Intermediates; Building Blocks; Carboxy; Pyridine. This chemical's molecular formula is C₁₂H₉NO₂ and molecular weight is 199.21. Its IUPAC name is called 4-pyridin-3-ylbenzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzoic acid,4-(3-pyridinyl)-: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): -0.53; (4)ACD/BCF (pH 5.5): 1.02; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.32; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 55.86 cm³; (13)Molar Volume: 160.4 cm³; (14)Surface Tension: 54.9 dyne/cm; (15)Density: 1.241 g/cm³; (16)Flash Point: 195 °C; (17)Enthalpy of Vaporization: 68.49 kJ/mol; (18)Boiling Point: 398.8 °C at 760 mmHg; (19)Vapour Pressure: 4.48E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)O
(2)InChI: InChI=1S/C12H9NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-8H,(H,14,15)
(3)InChIKey: GYUKEVKPDRXPAB-UHFFFAOYSA-N

Product Name

4-PYRIDIN-3-YL-BENZOIC ACID

Benzoic acid,4-(3-pyridinyl)- Specification

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