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Name |
Methyl 2-iodoisonicotinate |
EINECS | N/A |
CAS No. | 134579-47-8 | Density | 1.844 g/cm3 |
PSA | 39.19000 | LogP | 1.47280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6INO2 | Boiling Point | 305.6 °C at 760 mmHg |
Molecular Weight | 263.035 | Flash Point | 138.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Pyridinecarboxylic acid, 2-iodo-, methyl ester; |
Article Data | 3 |
The Methyl 2-iodoisonicotinate, with the CAS registry number 134579-47-8, is also known as 4-Pyridinecarboxylic acid, 2-iodo-, methyl ester. This chemical's molecular formula is C7H6INO2 and molecular weight is 263.03. What's more, its IUPAC name is Methyl 2-iodopyridine-4-carboxylate. Besides, this chemical must be kept in cold storage. Meanwhile, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Methyl 2-iodoisonicotinate are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 49.02 cm3; (9)Molar Volume: 142.6 cm3; (10)Polarizability: 19.43×10-24 cm3; (11)Surface Tension: 51.3 dyne/cm; (12)Density: 1.844 g/cm3; (13)Flash Point: 138.6 °C; (14)Enthalpy of Vaporization: 54.61 kJ/mol; (15)Boiling Point: 305.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000812 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccnc(I)c1
(2) InChI: InChI=1/C7H6INO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
(3) InChIKey: XXOKMYMXDALOEN-UHFFFAOYAV