4-Nitro-3-fluorobenzoic acid supplier

Name
4-Nitro-3-fluorobenzoic acid
EINECS
CAS No. 453-21-4
Density 1.568 g/cm³
Solubility
Melting Point
Formula C₇H₄FNO₄
Boiling Point 372.8 °C at 760 mmHg
Molecular Weight 185.1094
Flash Point 179.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Fluoro-4-nitrobenzoic acid;
PSA 83.12000
LogP 1.95530

4-Nitro-3-fluorobenzoic acid Specification

The 4-Nitro-3-fluorobenzoic acid, with the CAS registry number of 453-21-4, is also known as 3-Fluoro-4-nitrobenzenecarboxylic acid. It belongs to the product category of Benzoic Acid. This chemical's molecular formula is C₇H₄FNO₄ and molecular weight is 185.1094. What's more, its systematic name is called 3-Fluoro-4-nitrobenzoic acid.

Physical properties about 4-Nitro-3-fluorobenzoic acid are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 39.72 cm³; (13)Molar Volume: 118 cm³; (14)Surface Tension: 62.6 dyne/cm; (15)Density: 1.568 g/cm³; (16)Flash Point: 179.3 °C; (17)Enthalpy of Vaporization: 65.4 kJ/mol; (18)Boiling Point: 372.8 °C at 760 mmHg; (19)Vapour Pressure: 3.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1F)C(=O)O
(2) InChI: InChI=1/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
(3) InChIKey: WVZBIQSKLXJFNX-UHFFFAOYAY

Product Name

4-Nitro-3-fluorobenzoic acid

4-Nitro-3-fluorobenzoic acid Specification

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