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4-(Pyridazin-3-yl)benzoic acid

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Name

4-(Pyridazin-3-yl)benzoic acid

EINECS N/A
CAS No. 216060-22-9 Density 1.302 g/cm3
PSA 63.08000 LogP 1.84180
Solubility N/A Melting Point N/A
Formula C11H8N2O2 Boiling Point 472.5 °C at 760 mmHg
Molecular Weight 200.197 Flash Point 239.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 216060-22-9 (4-(Pyridazin-3-yl)benzoic acid) Hazard Symbols N/A
Synonyms

4-(PYRIDAZIN-3-YL)BENZOIC ACID

 

4-(Pyridazin-3-yl)benzoic acid Specification

The 4-(Pyridazin-3-yl)benzoic acid, has the CAS registry number 216060-22-9. This chemical's molecular formula is C11H8N2O2 and molecular weight is 200.19342. What's more, its systematic name is 4-(Pyridazin-3-yl)benzoic acid. 

Physical properties about 4-(Pyridazin-3-yl)benzoic acid are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.08 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 53.95 cm3; (13)Molar Volume: 153.6 cm3; (14)Polarizability: 21.39×10-24 cm3; (15)Surface Tension: 61.8 dyne/cm; (16)Density: 1.302 g/cm3; (17)Flash Point: 239.6 °C; (18)Enthalpy of Vaporization: 77.48 kJ/mol; (19)Boiling Point: 472.5 °C at 760 mmHg; (20)Vapour Pressure: 9.83E-10 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: OC(=O)c1ccc(cc1)c2cccnn2
(2) InChI: InChI=1/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15)
(3) InChIKey: FJBBZZOMNVFEHC-UHFFFAOYAR

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