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2-Chloro-5-iodo-3-(trifluoromethyl)pyridine

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Name

2-Chloro-5-iodo-3-(trifluoromethyl)pyridine

EINECS N/A
CAS No. 887707-25-7 Density 2.047 g/cm3
PSA 12.89000 LogP 3.35840
Solubility Slightly soluble in water. Melting Point 43 ºC
Formula C6H2ClF3IN Boiling Point 261.255 °C at 760 mmHg
Molecular Weight 307.441 Flash Point 111.804 °C
Transport Information N/A Appearance white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 887707-25-7 (2-Chloro-5-iodo-3-(trifluoromethyl)-pyridinone) Hazard Symbols N/A
Synonyms

2-CHLORO-5-IODO-3-(TRIFLUOROMETHYL)-PYRIDINONE;6-chloro-3-iodo-5-(trifluoroMethyl)pyridin-4(3H)-one

Article Data 14

2-Chloro-5-iodo-3-(trifluoromethyl)pyridine Specification

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

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