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CAS No.: | 59782-91-1 |
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Name: | 2-CHLORO-3-IODO-5-PICOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5ClIN |
Molecular Weight: | 253.46807 |
Synonyms: | 6-Chloro-5-iodo-3-methylpyridine; |
Density: | 1.906 g/cm3 |
Melting Point: | 61-63 °C(Solv: ethyl ether (60-29-7)) |
Boiling Point: | 284.1 °C at 760 mmHg |
Flash Point: | 125.6 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 12.89000 |
LogP: | 2.64800 |
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The Pyridine, 2-chloro-3-iodo-5-methyl-, with the CAS registry number of 59782-91-1, is also known as 2-Chloro-3-iodo-5-picoline and 2-Chloro-3-iodo-5-methylpyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5ClIN and molecular weight is 253.46807.
Physical properties about are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 156.1; (6)ACD/BCF (pH 7.4): 156.1; (7)ACD/KOC (pH 5.5): 1293.12; (8)ACD/KOC (pH 7.4): 1293.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 46.97 cm3; (15)Molar Volume: 132.9 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.906 g/cm3; (18)Flash Point: 125.6 °C; (19)Enthalpy of Vaporization: 50.2 kJ/mol; (20)Boiling Point: 284.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00522 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(nc1)Cl)I
(2) InChI: InChI=1/C6H5ClIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
(3) InChIKey: RBZFLTOFXAWOOQ-UHFFFAOYAV