5-Chloro-2-fluoronitrobenzene

Base Information

• Chemical Name: 5-Chloro-2-fluoronitrobenzene
• CAS No.: 345-18-6
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 2904909090
• European Community (EC) Number: 206-457-4
• UNII: MAM88XP8XP
• DSSTox Substance ID: DTXSID20188056
• Nikkaji Number: J193.795B
• Wikidata: Q72450979
• Mol file: 345-18-6.mol

Synonyms:5-chloro-2-fluoronitrobenzene;345-18-6;4-Chloro-1-fluoro-2-nitrobenzene;2-fluoro-5-chloronitrobenzene;Benzene, 4-chloro-1-fluoro-2-nitro-;5-Chloro-2-fluoro-nitrobenzene;MAM88XP8XP;5-chloro-2-fluoro nitrobenzene;EINECS 206-457-4;4-chloro-1-fluoro-2-nitro-benzene;1-CHLORO-4-FLUORO-3-NITROBENZENE;MFCD00069418;UNII-MAM88XP8XP;SCHEMBL306375;2-fluoro-5-chloro-nitrobenzene;3-chloro-6-fluoro nitrobenzene;SCHEMBL17145919;DTXSID20188056;2-Fluoro-5-Chloro Nitro benzene;1-Fluoro-2-nitro-4-chlorobenzene;BBL011053;STK802227;AKOS005257117;AC-5967;CS-W019164;GS-3402;MB00527;1-FLUORO-4-CHLORO-2-NITROBENZENE;2-FLUORO-5-CHLORO-1-NITROBENZENE;3-CHLORO-6-FLUORO-1-NITROBENZENE;5-chloro-2-fluoronitrobenzene, AldrichCPR;A6072;AM20040224;C2704;FT-0600995;EN300-173426;W-106733

Chemical Property of 5-Chloro-2-fluoronitrobenzene

Chemical Property:

• Melting Point: 8.3 °C
• Refractive Index: 1.5490-1.5530
• Boiling Point: 236 °C
• Flash Point: 97.2°C
• PSA: 45.82000
• Density: 1.494g/cm³
• LogP: 2.91050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.9836342
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Chloro-2-fluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 20/21/22-36/37/38-34
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])F

Technology Process of 5-Chloro-2-fluoronitrobenzene

There total 11 articles about 5-Chloro-2-fluoronitrobenzene 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: 88.6%

2,5-dichloronitrobenzene (89-61-2) → 2-fluoro-5-chloronitrobenzene (345-18-6)

Guidance literature:

With potassium fluoride; polydiallyldimethylammonium chloride; In dimethyl sulfoxide; at 200 ℃; for 1h;

DOI:10.1016/j.jfluchem.2003.11.018

Reference yield: 81.0%

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-fluoro-5-chloronitrobenzene (345-18-6)

Guidance literature:

With N-chloro-succinimide; boron trifluoride; at 100 - 105 ℃; for 18h;

Reference yield:

1-Chloro-4-fluorobenzene (352-33-0) → p-chloro-o-nitrophenol (89-64-5) + 1-chloro-4-fluoro-2-nitrobenzene (345-17-5) + 2-fluoro-5-chloronitrobenzene (345-18-6)

Guidance literature:

at -8 - 0 ℃; Product distribution;

upstream raw materials:

1-Chloro-4-fluorobenzene

4-Fluoro-3-nitroaniline

2,5-dichloronitrobenzene

(4-Chlor-2-nitro-phenyl)-trifluormethylsulfon

Downstream raw materials:

N-(4-chloro-2-nitrophenyl)benzenamine

5-chloro-2-fluoroaniline

p-chloro-o-nitrophenol

4-Chloro-2-nitroaniline

Refernces

• 1、 Liang, Zheng Yong,Lü, Chun Xu,Luo, Jun,Dong, Li Bin. "A polymer imidazole salt as phase-transfer catalyst in halex fluorination irradiated by microwave". . p. 608 - 611. Retrieved 2008/01/01.
• 2、 Prakash, G. K. Surya,Mathew, Thomas,Hoole, Dushyanthi,Esteves, Pierre M.,Wang, Qi,Rasul, Golam,Olah, George A.. "N-halosuccinimide/BF3-H2O, efficient electrophilic halogenating systems for aromatics". . p. 15770 - 15776. Retrieved 2007/10/03.