4,5-Difluoro-2-nitrobenzoic acid supplier

Name
4,5-Difluoro-2-nitrobenzoic acid
EINECS 1533716-785-6
CAS No. 20372-63-8
Article Data6
CAS DataBase
Density 1.661 g/cm³
Solubility
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
Appearance powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Nitro-4.5-Difluoro benzoic acid;3,4-Difluoro-6-Nitrobenzoic Acid;Benzoic acid, 4,5-difluoro-2-nitro-;
PSA 83.12000
LogP 2.09440

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

Product Name

4,5-Difluoro-2-nitrobenzoic acid

4,5-Difluoro-2-nitrobenzoic acid Specification

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