Name: 3-Fluoro-2-(trifluoromethyl)benzoyl chloride
SKU: 261951-82-0

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Basic Information

Molecular Structure:
CAS No.:	261951-82-0
Name:	3-Fluoro-2-(trifluoromethyl)benzoyl chloride

Formula:	C₈H₃ClF₄O
Molecular Weight:	226.558
Synonyms:	3-Fluoro-2-trifluoromethylbenzoylchloride;3-fluoro-2-(trifluoromethyl)benzoyl chloride;Benzoyl chloride, 3-fluoro-2-(trifluoromethyl)-;
Density:	1.475 g/cm³
Boiling Point:	225.5 °C at 760 mmHg
Flash Point:	90.2 °C
Hazard Symbols:	C
PSA:	17.07000
LogP:	3.22350

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Specification

The 3-Fluoro-2-(trifluoromethyl)benzoyl chloride, with the cas registry number 261951-82-0, has the systematic name of 3-fluoro-2-(trifluoromethyl)benzoyl chloride. It is a kind of corrosive chemical, and the molecular formula of the chemical is C₈H₃ClF₄O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.64; (6)ACD/BCF (pH 7.4): 249.64; (7)ACD/KOC (pH 5.5): 1809.67; (8)ACD/KOC (pH 7.4): 1809.67; (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: 1.452; (14)Molar Refractivity: 41.47 cm³; (15)Molar Volume: 153.5 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 90.2 °C; (20)Enthalpy of Vaporization: 46.2 kJ/mol; (21)Boiling Point: 225.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0862 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(cccc1F)C(Cl)=O
(2)InChI: InChI=1/C8H3ClF4O/c9-7(14)4-2-1-3-5(10)6(4)8(11,12)13/h1-3H
(3)InChIKey: FHWMGBNKQOJFOJ-UHFFFAOYAY