CAS No.4385-77-7,3-(3-PYRIDINYL)BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4385-77-7
Name:	3-(3-PYRIDINYL)BENZOIC ACID
Article Data:	8

Formula:	C₁₂H₉NO₂
Molecular Weight:	199.209
Synonyms:	Benzoicacid, m-3-pyridyl- (7CI,8CI);3-(Pyridin-3-yl)benzoic acid;
Density:	1.241 g/cm³
Melting Point:	202-205.5 °C
Boiling Point:	420.1 °C at 760 mmHg
Flash Point:	207.8 °C
Hazard Symbols:	Xi
Risk Codes:	22-36/37/38
Safety:	22-26-36/37/39
PSA:	50.19000
LogP:	2.44680

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Specification

The Benzoic acid,3-(3-pyridinyl)-, with the CAS registry number 4385-77-7, is also known as 3-(Pyridin-3-yl)benzoic acid 95%. It belongs to the product categories of Building Blocks; Carboxy; Pyridine. This chemical's molecular formula is C₁₂H₉NO₂ and molecular weight is 199.21. Its IUPAC name is called 3-pyridin-3-ylbenzoate. 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,3-(3-pyridinyl)-: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -0.41; (4)ACD/BCF (pH 5.5): 1.45; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.77; (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: 207.8 °C; (17)Enthalpy of Vaporization: 71.04 kJ/mol; (18)Boiling Point: 420.1 °C at 760 mmHg; (19)Vapour Pressure: 8.31E-08 mmHg at 25°C.

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