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4,5-Difluoro-2-nitrobenzoic acid

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Name

4,5-Difluoro-2-nitrobenzoic acid

EINECS 1533716-785-6
CAS No. 20372-63-8 Density 1.661 g/cm3
PSA 83.12000 LogP 2.09440
Solubility N/A Melting Point 165-167 °C
Formula C7H3F2NO4 Boiling Point 349.7 °C at 760 mmHg
Molecular Weight 203.102 Flash Point 165.3 °C
Transport Information N/A Appearance powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20372-63-8 (4,5-Difluoro-2-nitrobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Nitro-4.5-Difluoro benzoic acid;3,4-Difluoro-6-Nitrobenzoic Acid;Benzoic acid, 4,5-difluoro-2-nitro-;

Article Data 6

4,5-Difluoro-2-nitrobenzoic acid Specification

The 4,5-Difluoro-2-nitrobenzoic acid, with the CAS registry number 20372-63-8, belongs to the following product categories: Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; API intermediates; C7; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of this chemical is C7H3F2NO4.

The physical properties of 4,5-Difluoro-2-nitrobenzoic acid are as following: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 39.71 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.661 g/cm3; (19)Flash Point: 165.3 °C; (20)Enthalpy of Vaporization: 62.71 kJ/mol; (21)Boiling Point: 349.7 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)O)c(cc1F)[N+]([O-])=O
(2)InChI: InChI=1/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12)
(3)InChIKey: HGGRAOYTQNFGGN-UHFFFAOYAP

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