4-Pyridinecarboxylicacid, 3-iodo-, methyl ester supplier

Name
3-IODOISONICOTINIC ACID METHYL ESTER
EINECS
CAS No. 188677-49-8
Article Data6
CAS DataBase
Density 1.844 g/cm³
Solubility
Melting Point
Formula C₇H₆INO₂
Boiling Point 277.9 °C at 760 mmHg
Molecular Weight 263.035
Flash Point 121.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl3-iodopyridine-4-carboxylate;3-Iodo-4-pyridinecarboxylicacid methyl ester;Methyl 3-iodoisonicotinate;
PSA 39.19000
LogP 1.47280

4-Pyridinecarboxylicacid, 3-iodo-, methyl ester Specification

The 4-Pyridinecarboxylicacid, 3-iodo-, methyl ester, with the CAS registry number 188677-49-8, is also known as Methyl 3-iodoisonicotinate. This chemical's molecular formula is C₇H₆INO₂ and molecular weight is 263.0325. Its systematic name is called methyl 3-iodopyridine-4-carboxylate.

Physical properties of 4-Pyridinecarboxylicacid, 3-iodo-, methyl ester: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.66; (5)ACD/BCF (pH 7.4): 7.66; (6)ACD/KOC (pH 5.5): 149.45; (7)ACD/KOC (pH 7.4): 149.46; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.603; (11)Molar Refractivity: 49.02 cm³; (12)Molar Volume: 142.6 cm³; (13)Surface Tension: 51.3 dyne/cm; (14)Density: 1.844 g/cm³; (15)Flash Point: 121.9 °C; (16)Enthalpy of Vaporization: 51.65 kJ/mol; (17)Boiling Point: 277.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00441 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccncc1I
(2)InChI: InChI=1/C7H6INO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
(3)InChIKey: XZUYSNLMTTZFDY-UHFFFAOYAQ

Product Name

3-IODOISONICOTINIC ACID METHYL ESTER

4-Pyridinecarboxylicacid, 3-iodo-, methyl ester Specification

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