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317-46-4

Basic Information
CAS No.: 317-46-4
Name: Benzoic acid,2-fluoro-3-nitro-
Article Data: 8
Cas Database
Molecular Structure:
Molecular Structure of 317-46-4 (Benzoic acid,2-fluoro-3-nitro-)
Formula: C7H4FNO4
Molecular Weight: 185.111
Synonyms: 2-Fluoro-3-nitrobenzoicacid;benzoic acid, 2-fluoro-3-nitro-;
EINECS: 630-017-4
Density: 1.568 g/cm3
Melting Point: N/A
Boiling Point: 347.6 °C at 760 mmHg
Flash Point: 164 °C
Solubility: Slightly soluble in water.
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 83.12000
LogP: 1.95530
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Specification

The 2-Fluoro-3-nitrobenzoic acid, with the CAS registry number 317-46-4, has the systematic name of 2-fluoro-3-nitrobenzoic acid. And the molecular formula of this chemical is C7H4FNO4. It is a kind of air sensitive chemical, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

The physical properties of 2-Fluoro-3-nitrobenzoic acid are as following: (1)ACD/LogP: 1.47; (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; (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: 83.12 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 39.72 cm3; (13)Molar Volume: 118 cm3; (14)Polarizability: 15.74×10-24cm3; (15)Surface Tension: 62.6 dyne/cm; (16)Density: 1.568 g/cm3; (17)Flash Point: 164 °C; (18)Enthalpy of Vaporization: 62.46 kJ/mol; (19)Boiling Point: 347.6 °C at 760 mmHg; (20)Vapour Pressure: 2.01E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cccc(C(O)=O)c1F
(2)InChI: InChI=1/C7H4FNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: WLGUSLGYTNJJFV-UHFFFAOYAX