Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Methyl 4-fluoro-3-nitrobenzoate

Related Products

Hot Products

Name

Methyl 4-fluoro-3-nitrobenzoate

EINECS N/A
CAS No. 329-59-9 Density 1.388 g/cm3
PSA 72.12000 LogP 2.04370
Solubility Soluble in ethanol, ether and methanol. Insoluble in water. Melting Point 56-59℃
Formula C8H6FNO4 Boiling Point 299.4 °C at 760 mmHg
Molecular Weight 199.138 Flash Point 134.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 329-59-9 (Methyl 4-fluoro-3-nitrobenzoate) Hazard Symbols IrritantXi
Synonyms

3-Nitro-4-fluorobenzoicacid methyl ester;4-Fluoro-3-nitrobenzoic acid methyl ester;benzoic acid, 4-fluoro-3-nitro-, methyl ester;

Article Data 77

Methyl 4-fluoro-3-nitrobenzoate Specification

The Benzoic acid,4-fluoro-3-nitro-, methyl ester, with the CAS registry number 329-59-9, has the systematic name of methyl 4-fluoro-3-nitrobenzoate. It belongs to the following product categories: Blocks; Carboxes; Fluoro Compounds; Nitro Compounds; Aromatic Esters. And the molecular formula of the chemical is C8H6FNO4.

The characteristics of Benzoic acid,4-fluoro-3-nitro-, methyl ester are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.52; (6)ACD/BCF (pH 7.4): 9.52; (7)ACD/KOC (pH 5.5): 174.64; (8)ACD/KOC (pH 7.4): 174.64; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 44.56 cm3; (15)Molar Volume: 143.3 cm3; (16)Polarizability: 17.66×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.388 g/cm3; (19)Flash Point: 134.9 °C; (20)Enthalpy of Vaporization: 53.94 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0012 mmHg at 25°C.

Uses of Benzoic acid,4-fluoro-3-nitro-, methyl ester: It can react with 3-hydroxy-benzoic acid methyl esterto produce dimethyl 3-nitro-3',4-oxydibenzoate. This reaction will need reagent K2CO3, and the menstruum dimethylformamide. The reaction time is 6 hours with temperature of 20°C, and the yield is about 91.8%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1F)C(=O)OC
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
(3)InChIKey: CNJJSTPBUHAEFH-UHFFFAOYAA

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 329-59-9