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CAS No.: | 260355-20-2 |
---|---|
Name: | 2-Chloro-5-iodobenzotrifluoride |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H3ClF3I |
Molecular Weight: | 306.454 |
Synonyms: | 2-Chloro-5-iodobenzotrifluoride; |
Density: | 1.952 g/cm3 |
Melting Point: | 28 °C |
Boiling Point: | 235.4 °C at 760 mmHg |
Flash Point: | 96.2 °C |
PSA: | 0.00000 |
LogP: | 3.96340 |
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The 2-Chloro-5-iodobenzotrifluoride, with the CAS registry number 260355-20-2, is also known as Benzene, 1-chloro-4-iodo-2-(trifluoromethyl)-. This chemical's molecular formula is C7H3ClF3I and molecular weight is 306.45. Its systematic name is called 1-chloro-4-iodo-2-(trifluoromethyl)benzene.
Physical properties of 2-Chloro-5-iodobenzotrifluoride: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.537; (7)Molar Refractivity: 49.03 cm3; (8)Molar Volume: 156.9 cm3; (9)Surface Tension: 32.9 dyne/cm; (10)Density: 1.952 g/cm3; (11)Flash Point: 96.2 °C; (12)Enthalpy of Vaporization: 45.3 kJ/mol; (13)Boiling Point: 235.4 °C at 760 mmHg; (14)Vapour Pressure: 0.0767 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(I)ccc1Cl
(2)InChI: InChI=1/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H
(3)InChIKey: MCIFWVOVVPVBRJ-UHFFFAOYAE