1,3-Difluoro-5-nitrobenzene

Base Information

• Chemical Name: 1,3-Difluoro-5-nitrobenzene
• CAS No.: 2265-94-3
• Molecular Formula: C6H3F2NO2
• Molecular Weight: 159.092
• Hs Code.: 29049090
• European Community (EC) Number: 218-867-0
• NSC Number: 10260
• UNII: 27ZN24954J
• DSSTox Substance ID: DTXSID30177193
• Nikkaji Number: J213.153F
• Wikidata: Q72463516
• Mol file: 2265-94-3.mol

Synonyms:3,5-Difluoronitrobenzene;1,3-Difluoro-5-nitrobenzene;2265-94-3;Benzene, 1,3-difluoro-5-nitro-;1,3-difluoro-5-nitro-benzene;EINECS 218-867-0;NSC-10260;27ZN24954J;3,5-difluoro-1-nitrobenzene;1-nitro-3,5-difluorobenzene;2,6-difluoro-4-nitrobenzene;NSC10260;MFCD00012142;3,5-Difluornitrobenzene;3,5-difluoro-nitrobenzene;SCHEMBL1172437;UNII-27ZN24954J;1,3-Difluoro-5-nitrobenzene #;3,5-Difluoronitrobenzene, 99%;AUQBBDWDLJSKMI-UHFFFAOYSA-;DTXSID30177193;NSC 10260;AKOS005063583;AC-2665;AM61847;CS-W016187;AS-33088;BP-13437;A4841;D3426;FT-0634172;EN300-50140;W-107464;Z600389896

Chemical Property of 1,3-Difluoro-5-nitrobenzene

Chemical Property:

• Appearance/Colour: yellow or yellow-green liquid
• Melting Point: 17 °C(lit.)
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 176.5 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 45.82000
• Density: 1.45 g/cm³
• LogP: 2.39620
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 159.01318466
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3,5-Difluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)[N+](=O)[O-]
• Uses: 3,5-Difluoronitrobenzene has been used to improve thermal stability of immobilized porcine pancrease lipase.

Technology Process of 1,3-Difluoro-5-nitrobenzene

There total 8 articles about 1,3-Difluoro-5-nitrobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

1,3,5-trinitrobenzene (99-35-4) → 1,3-difluoro-5-nitrobenzene (2265-94-3)

Guidance literature:

With Phthaloyl dichloride; cesium fluoride; In sulfolane; at 180 ℃; for 8h;

DOI:10.5012/bkcs.2011.32.8.2820

Reference yield: 71.0%

pentafluoronitrobenzen (880-78-4) → 1,3-difluoro-5-nitrobenzene (2265-94-3)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.0c04305

Reference yield:

nitrobenzene (98-95-3,26969-40-4) → 3-fluoro-1-nitrobenzene (402-67-5) + 2,6-difluoro-1-nitrobenzene (19064-24-5) + 2,4-Difluoronitrobenzene (446-35-5) + 1,3-difluoro-5-nitrobenzene (2265-94-3) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7)

Guidance literature:

With tetrafluoroammonium tetrafluoroborate; In hydrogen fluoride; at 0 ℃; Product distribution;

DOI:10.1016/S0022-1139(00)82655-X

upstream raw materials:

2-amino-3,5-difluoronitrobenzene

1,3,5-trinitrobenzene

nitrobenzene

N-(2,4-difluoro-phenyl)-acetamide

Refernces

• 1、 Lee, Woong Hee,Park, Gyoo Soon,Kim, Seok Chan. "The phthaloyl chloride-induced conversion reactions of trinitrobenzene into nitroaryl halides". experimental part. p. 2820 - 2822. Retrieved 2012/01/05.
• 2、 -. "Preparation of fluorine-substituted aromatic compounds". . . Retrieved 2008/06/13.