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115549-05-8

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Basic Information
CAS No.: 115549-05-8
Name: 2,3,4-TRICHLORO-5-FLUOROBENZOIC CHLORIDE
Molecular Structure:
Molecular Structure of 115549-05-8 (2,3,4-TRICHLORO-5-FLUOROBENZOIC CHLORIDE)
Formula: C7HCl4FO
Molecular Weight: 261.8926
Synonyms: 2,3,4-Trichloro-5-fluorobenzoicacid chloride;2,3,4-Trichloro-5-fluorobenzoyl chloride;
Density: 1.679 g/cm3
Boiling Point: 282.2 °C at 760 mmHg
Flash Point: 124.5 °C
PSA: 17.07000
LogP: 4.16490
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Specification

The Benzoyl chloride, 2, 3, 4-trichloro-5-fluoro-, with the CAS registry number of 115549-05-8, is also known as 2, 3, 4-Trichloro-5-fluorobenzoic chloride. This chemical's molecular formula is C7HCl4FO and molecular weight is 261.8926. What's more, its systematic name is called 2, 3, 4-Trichloro-5-fluorobenzoyl chloride.

Physical properties about Benzoyl chloride, 2, 3, 4-trichloro-5-fluoro- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 307.22; (6)ACD/BCF (pH 7.4): 307.22; (7)ACD/KOC (pH 5.5): 2099.54; (8)ACD/KOC (pH 7.4): 2099.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 51.17 cm3; (15)Molar Volume: 155.9 cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Density: 1.679 g/cm3; (18)Flash Point: 124.5 °C; (19)Enthalpy of Vaporization: 52.11 kJ/mol; (20)Boiling Point: 282.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0034 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(c(Cl)c(Cl)c1Cl)C(Cl)=O
(2) InChI: InChI=1/C7HCl4FO/c8-4-2(7(11)13)1-3(12)5(9)6(4)10/h1H
(3) InChIKey: WXAUBUZVERZUSH-UHFFFAOYAY