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110192-48-8

Basic Information
CAS No.: 110192-48-8
Name: 4-Fluoro-3-iodobenzotrifluoride
Molecular Structure:
Molecular Structure of 110192-48-8 (4-Fluoro-3-iodobenzotrifluoride)
Formula: C7H3F4I
Molecular Weight: 289.9968
Synonyms: Benzene, 1-fluoro-2-iodo-4-(trifluoromethyl)-;
Density: 1.943 g/cm3
Boiling Point: 192.6 °C at 760 mmHg
Flash Point: 74.3 °C
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    Catalog # IT07A 4-fluoro-3-iodobenzotrifluoride

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Specification

The 4-Fluoro-3-iodobenzotrifluoride, with the CAS registry number of 110192-48-8, is also known as Benzene, 1-fluoro-2-iodo-4-(trifluoromethyl)-. Its molecular formula is C7H3F4I and molecular weight is 289.9968. What's more, its systematic name is 1-Fluoro-2-iodo-4-(trifluoromethyl)benzene.

Physical properties about the 4-Fluoro-3-iodobenzotrifluoride are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)#H bond acceptors: 0; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: Å2; (8)Index of Refraction: 1.503; (9)Molar Refractivity: 44.13 cm3; (10)Molar Volume: 149.2 cm3; (11)Surface Tension: 29.3 dyne/cm; (12)Density: 1.943 g/cm3; (13)Flash Point: 74.3 °C; (14)Enthalpy of Vaporization: 41.12 kJ/mol; (15)Boiling Point: 192.6 °C at 760 mmHg; (16)Vapour Pressure: 0.676 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1I)C(F)(F)F
(2) InChI: InChI=1/C7H3F4I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
(3) InChIKey: MYEWQVPSCXXERV-UHFFFAOYAR