2,3-Bis(trifluoromethyl)nitrobenzene

Base Information

• Chemical Name: 2,3-Bis(trifluoromethyl)nitrobenzene
• CAS No.: 1978-06-9
• Molecular Formula: C8H3 F6 N O2
• Molecular Weight: 259.108
• Hs Code.: 2904990090
• DSSTox Substance ID: DTXSID30568224
• Wikidata: Q82454407
• Mol file: 1978-06-9.mol

Synonyms:2,3-Bis(trifluoromethyl)nitrobenzene;1978-06-9;1-nitro-2,3-bis(trifluoromethyl)benzene;Bis(trifluoromethyl)nitrobenzene;2,3-BIS-(TRIFLUOROMETHYL)NITROBENZENE;SCHEMBL1995565;DTXSID30568224;MFCD04972858;AKOS037655300;PS-10418;CS-0205406

Chemical Property of 2,3-Bis(trifluoromethyl)nitrobenzene

Chemical Property:

• Vapor Pressure: 0.345mmHg at 25°C
• Melting Point: 27-29 °C
• Refractive Index: 1.421
• Boiling Point: 206.2°Cat760mmHg
• Flash Point: 78.5°C
• PSA: 45.82000
• Density: 1.539g/cm³
• LogP: 4.15560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 259.00679731
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

98% ^*data from raw suppliers

2,3-Bis(trifluoromethyl)nitrobenzene 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(F)(F)F)C(F)(F)F

Technology Process of 2,3-Bis(trifluoromethyl)nitrobenzene

There total 6 articles about 2,3-Bis(trifluoromethyl)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: 86.0%

dibromodifluoromethane (75-61-6) + 1,2-Dichloro-3-nitrobenzene (3209-22-1) → 1,2-Bis(trifluoromethyl)-3-nitrobenzene (1978-06-9) + 1-chloro-3-nitro-2-(trifluoromethyl)nicotinate (133391-58-9)

Guidance literature:

With ISOPROPYLAMIDE; copper; at 100 ℃; for 5h;

DOI:10.1016/S0022-1139(00)85007-1

Reference yield:

1,2-bis(trifluoromethyl)benzene (433-95-4) → 1,2-Bis(trifluoromethyl)-3-nitrobenzene (1978-06-9)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9600004003

Reference yield:

3-nitrophthalic acid (603-11-2) → 1,2-Bis(trifluoromethyl)-3-nitrobenzene (1978-06-9)

Guidance literature:

With sulfur tetrafluoride;

upstream raw materials:

dibromodifluoromethane

1,2-Dichloro-3-nitrobenzene

1,2-bis(trifluoromethyl)benzene

3-nitrophthalic acid

Downstream raw materials:

5-chloro-N-(3-(trifluoromethyl)-2-trifluoromethylphenyl)-2-hydroxybenzamide

2,3-ditrifluoromethylaniline

3-nitrophthalic acid

Refernces

• 1、 Clark, James H.,Denness, James E.,McClinton, Martin A.,Wynd, Andrew J.. "THE TRIFLUOROMETHYLATION OF CHLOROAROMATICS USING THE COPPER-CF2Br2-DIALKYLAMIDE REACTION SYSTEM". . p. 411 - 426. Retrieved 2007/10/02.