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| CAS No.: | 53234-55-2 |
|---|---|
| Name: | 5-Cyanopyridine-2-carboxylic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H4N2O2 |
| Molecular Weight: | 148.121 |
| Synonyms: | 5-Cyanopyridine-2-carboxylic acid;2-Pyridinecarboxylicacid,5-cyano-(9CI);5-cyano-2-pyridinecarboxylic acid;5-cyanopicolinic acid;5-Cyano-pyridin-2-carboxylic acid;5-Cyanopicoliniic Acid;5-cyano-2-pyridincarboxylic acid |
| EINECS: | -0 |
| Density: | 1.42g/cm3 |
| Melting Point: | 212-214℃ |
| Boiling Point: | 370.7 °C at 760 mmHg |
| Flash Point: | 178 °C |
| Solubility: | Sparingly soluble in water.(0.26 g/L) (25°C), |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 73.98000 |
| LogP: | 0.65148 |
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Specification
The 5-Cyanopyridine-2-carboxylic acid, with CAS registry number 53234-55-2, belongs to the following product category: Carboxylicacid. It has the systematic name of 5-cyanopyridine-2-carboxylic acid. And the chemical formula of this chemical is C7H4N2O2.
Physical properties of 5-Cyanopyridine-2-carboxylic acid: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 73.98 Å2; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 35.39 cm3; (12)Molar Volume: 103.9 cm3; (13)Polarizability: 14.03×10-24cm3; (14)Surface Tension: 78.2 dyne/cm; (15)Density: 1.42 g/cm3; (16)Flash Point: 178 °C; (17)Enthalpy of Vaporization: 65.16 kJ/mol; (18)Boiling Point: 370.7 °C at 760 mmHg; (19)Vapour Pressure: 3.77E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(C#N)cn1
(2)InChI: InChI=1/C7H4N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,(H,10,11)
(3)InChIKey: HRLVPHGCEGTVLK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H4N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,(H,10,11)
(5)Std. InChIKey: HRLVPHGCEGTVLK-UHFFFAOYSA-N