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CAS No.: | 887707-25-7 |
---|---|
Name: | 2-Chloro-5-iodo-3-(trifluoromethyl)-pyridinone |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H2ClF3IN |
Molecular Weight: | 307.441 |
Synonyms: | 2-CHLORO-5-IODO-3-(TRIFLUOROMETHYL)-PYRIDINONE;6-chloro-3-iodo-5-(trifluoroMethyl)pyridin-4(3H)-one |
Density: | 2.047 g/cm3 |
Melting Point: | 43 ºC |
Boiling Point: | 261.255 °C at 760 mmHg |
Flash Point: | 111.804 °C |
Solubility: | Slightly soluble in water. |
Appearance: | white solid |
PSA: | 12.89000 |
LogP: | 3.35840 |
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This product is an organic compound with the formula C6H2ClF3IN. The systematic name of this chemical is 2-chloro-5-iodo-3-(trifluoromethyl)pyridine and the CAS registry number is 887707-25-7. In addition, the molecular weight is 307.44.
The other characteristics of 2-Chloro-5-iodo-3-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 193; (6)ACD/BCF (pH 7.4): 193; (7)ACD/KOC (pH 5.5): 1505; (8)ACD/KOC (pH 7.4): 1505; (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: 1.54; (14)Molar Refractivity: 47.126 cm3; (15)Molar Volume: 150.191 cm3; (16)Polarizability: 18.682×10-24 cm3; (17)Surface Tension: 36.875 dyne/cm; (18)Density: 2.047 g/cm3; (19)Flash Point: 111.804 °C; (20)Enthalpy of Vaporization: 47.885 kJ/mol; (21)Boiling Point: 261.255 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1cc(I)cnc1Cl
2. InChI:InChI=1/C6H2ClF3IN/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H
3. InChIKey:KUASPTUGCBGXAE-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C6H2ClF3IN/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H
5. Std. InChIKey:KUASPTUGCBGXAE-UHFFFAOYSA-N