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134579-47-8

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Basic Information
CAS No.: 134579-47-8
Name: 2-IODO-ISONICOTINIC ACID METHYL ESTER
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 134579-47-8 (2-IODO-ISONICOTINIC ACID METHYL ESTER)
Formula: C7H6INO2
Molecular Weight: 263.035
Synonyms: 4-Pyridinecarboxylic acid, 2-iodo-, methyl ester;
Density: 1.844 g/cm3
Boiling Point: 305.6 °C at 760 mmHg
Flash Point: 138.6 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 39.19000
LogP: 1.47280
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Specification

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