Benzoyl chloride,2,3,4,5,6-pentafluoro- (2251-50-5)

The Pentafluorobenzoyl chloride, with the CAS registry number 2251-50-5, is also known as Pentafluorobenzoic acid chloride. It belongs to the product categories of Acylation (GC Derivatizing Reagents); Analytical Chemistry; GC Derivatizing Reagents. Its EINECS registry number is 218-842-4. Its IUPAC name and systematic name are the same which is called 2,3,4,5,6-pentafluorobenzoyl chloride. This chemical is clear colorless to light yellow liquid.

Physical properties about this chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.08; (6)ACD/BCF (pH 7.4): 24.08; (7)ACD/KOC (pH 5.5): 339.35; (8)ACD/KOC (pH 7.4): 339.35; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 36.46 cm³; (14)Molar Volume: 136.8 cm³; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 1.683 g/cm³; (17)Flash Point: 49.7 °C; (18)Enthalpy of Vaporization: 39.52 kJ/mol; (19)Boiling Point: 158.5 °C at 760 mmHg; (20)Vapour Pressure: 2.62 mmHg at 25°C; (21)Refractive Index: 1.452-1.454.

Uses of Pentafluorobenzoyl chloride: it can be used to produce 1-(2,3,4,5,6-Pentafluorbenzoyl)-1,2,3,6-tetrahydropyridin at temperature of - 20 °C. This reaction will need reagent NEt₃ and solvent CH₂Cl₂ with reaction time of 2 hours. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It reacts violently with water and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl
(2)InChI: InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
(3)InChIKey: MYHOHFDYWMPGJY-UHFFFAOYSA-N