CAS No.13656-36-5,3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13656-36-5
Name:	3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID

Formula:	C₇HCl₂F₃O₂
Molecular Weight:	244.985
Synonyms:	3,5-Dichloro-2,4,6-trifluorobenzoic acid;3,5-Dichloro-2,4,6-trifluoro-benzoic acid;
Density:	1.768 g/cm³
Melting Point:	142 °C
Boiling Point:	288 °C at 760 mmHg
Flash Point:	128 °C
Hazard Symbols:	C,Xi
Risk Codes:	C,Xi:Corrosive; "> C,Xi:Corrosive;
PSA:	37.30000
LogP:	3.10890

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Specification

The Benzoic acid,3,5-dichloro-2,4,6-trifluoro-, with the CAS registry number 13656-36-5, is also known as 3,5-Dichloro-2,4,6-trifluoro-benzoic acid. This chemical's molecular formula is C₇HCl₂F₃O₂ and molecular weight is 244.98. What's more, its systematic name is 3,5-Dichloro-2,4,6-trifluorobenzoic acid.

Physical properties of Benzoic acid,3,5-dichloro-2,4,6-trifluoro- are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 1.2; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 5.26; (8)ACD/KOC (pH 7.4): 4.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 42.95 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 17.02×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.768 g/cm³; (19)Flash Point: 128 °C; (20)Enthalpy of Vaporization: 55.68 kJ/mol; (21)Boiling Point: 288 °C at 760 mmHg; (22)Vapour Pressure: 0.00112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)C(=O)O
(2)InChI: InChI=1S/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)
(3)InChIKey: WOGODDMTAFMNSE-UHFFFAOYSA-N