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36556-33-9

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Basic Information
CAS No.: 36556-33-9
Name: 1,3,5-trichloro-2-fluoro-benzene
Article Data: 2
Molecular Structure:
Molecular Structure of 36556-33-9 (1,3,5-trichloro-2-fluoro-benzene)
Formula: C6H2Cl3F
Molecular Weight: 199.439
Synonyms: 2,4,6-Trichloro-1-fluorobenzene;1,3,5-Trichloro-2-fluorobenzene;
Density: 1.54 g/cm3
Boiling Point: 219.4 °C at 760 mmHg
Flash Point: 90.7 °C
PSA: 0.00000
LogP: 3.78590
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Specification

The Benzene,1,3,5-trichloro-2-fluoro-, with the CAS registry number 36556-33-9, is also known as 2,4,6-Trichloro-1-fluorobenzene. This chemical's molecular formula is C6H2Cl3F and molecular weight is 199.44. What's more, its IUPAC name is 1,3,5-trichloro-2-fluorobenzene.

Physical properties of Benzene,1,3,5-trichloro-2-fluoro- are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1019.56; (6)ACD/BCF (pH 7.4): 1019.56; (7)ACD/KOC (pH 5.5): 4954.76; (8)ACD/KOC (pH 7.4): 4954.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 40.93 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 16.22×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 90.7 °C; (20)Enthalpy of Vaporization: 43.73 kJ/mol; (21)Boiling Point: 219.4 °C at 760 mmHg; (22)Vapour Pressure: 0.177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)cc(Cl)c1F
(2)Std. InChI: InChI=1S/C6H2Cl3F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
(3)Std. InChIKey: NCPNJBWUNXRYGW-UHFFFAOYSA-N