2,3,4,5-Tetrafluoro-6-nitrobenzoic acid

The Benzoicacid, 2,3,4,5-tetrafluoro-6-nitro-, with the CAS registry number 16583-08-7, is also known as 2-Nitro-3,4,5,6-tetrafluorobenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₇HF₄NO₄ and molecular weight is 239.0808. Its IUPAC name is called 2,3,4,5-tetrafluoro-6-nitrobenzoate. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of Benzoicacid, 2,3,4,5-tetrafluoro-6-nitro-: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): -1.75; (3)ACD/LogD (pH 7.4): -1.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 39.7 cm³; (13)Molar Volume: 130.6 cm³; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.83 g/cm³; (16)Flash Point: 161 °C; (17)Enthalpy of Vaporization: 61.88 kJ/mol; (18)Boiling Point: 342.6 °C at 760 mmHg; (19)Vapour Pressure: 2.86E-05 mmHg at 25°C.

Preparation of Benzoicacid, 2,3,4,5-tetrafluoro-6-nitro-: this chemical can be prepared by 2,3,4,5-tetrafluorobenzoic acid. This reaction will need reagents fuming HNO₃ and H₂SO₄. The reaction time is 5.5 hours with reaction temperature of 70 °C. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-])C(=O)[O-]
(2)InChI: InChI=1S/C7HF4NO4/c8-2-1(7(13)14)6(12(15)16)5(11)4(10)3(2)9/h(H,13,14)/p-1
(3)InChIKey: JQGBMYKEWLSLCI-UHFFFAOYSA-M