3-Chloro-4-fluoronitrobenzene

Base Information

• Chemical Name: 3-Chloro-4-fluoronitrobenzene
• CAS No.: 350-30-1
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.547
• Hs Code.: 29049090
• European Community (EC) Number: 206-499-3
• NSC Number: 163894
• UNII: 8H6U84X075
• DSSTox Substance ID: DTXSID6049278
• Nikkaji Number: J135.058G
• Wikidata: Q27270482
• ChEMBL ID: CHEMBL167472
• Mol file: 350-30-1.mol

Synonyms:3-Chloro-4-fluoronitrobenzene;350-30-1;2-Chloro-1-fluoro-4-nitrobenzene;Benzene, 2-chloro-1-fluoro-4-nitro-;3-Chloro-4-fluoro-1-nitrobenzene;2-Chloro-1-fluoro-4-nitro-benzene;EINECS 206-499-3;NSC 163894;BRN 1944997;DTXSID6049278;UNII-8H6U84X075;MFCD00007206;8H6U84X075;NSC-163894;1-chloro-2-fluoro-5-nitrobenzene;4-fluoro-3-chloronitrobenzene;NSC163894;3-chloro-4-fluronitrobenzene;SCHEMBL169304;2-chloro-4-nitro-fluorobenzene;2-fluoro-5-nitro-chlorobenzene;3-chloro-4-fluoro nitrobenzene;3-chloro-4-fluoro-nitrobenzene;4-fluoro-3-chloro-nitrobenzene;CHEMBL167472;3-Chloro 4-fluoro nitrobenzene;DTXCID5029134;SCHEMBL18820148;DPHCXXYPSYMICK-UHFFFAOYSA-;2-chloro-l-fluoro-4-nitrobenzene;2-chloro 1-fluoro-4-nitrobenzene;4-fluoro-3-chloro-1-nitrobenzene;3-chloro-4-fluoro-1-nitro-benzene;Tox21_202824;AC-238;3-Chloro-4-fluoronitrobenzene, 98%;AKOS000119938;CS-W008736;NCGC00260370-01;CAS-350-30-1;DS-12678;LS-29490;A6145;FT-0615394;EN300-19452;W-106695;Q27270482;Z104473890

Chemical Property of 3-Chloro-4-fluoronitrobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0893mmHg at 25°C
• Melting Point: 40-42 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 232.5 °C at 760 mmHg
• Flash Point: 94.4 °C
• PSA: 45.82000
• Density: 1.494 g/cm³
• LogP: 2.91050
• Storage Temp.: 0-10°C
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• 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:

99% ^*data from raw suppliers

3-Chloro-4-fluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38-20/21/22
• Safety Statements: 26-39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)F
• Uses: 2-Chloro-1-fluoro-4-nitrobenzene is an intermediate used in synthesis of benzoimidolones on Ameba resin and methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate. 2-Chloro-1-fluoro-4-nitrobenzene has been used in synthesis of:benzoimidolones on Ameba resinmethyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate

Technology Process of 3-Chloro-4-fluoronitrobenzene

There total 18 articles about 3-Chloro-4-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: 100.0%

3,4-dichloronitrobenzene (99-54-7) → 3-chloro-4-fluoronitrobenzene (350-30-1)

Guidance literature:

With trihexyl (tetradecyl) phosphonium tetrafluoroborate; potassium fluoride; In dimethyl sulfoxide; at 180 ℃; Solvent; Reagent/catalyst; Time;

DOI:10.1016/j.cattod.2012.02.063

Reference yield: 85.0%

sulfolane (126-33-0,208252-54-4) + 3,4-dichloronitrobenzene (99-54-7) + Aliquat 336 (5137-55-3,76925-99-0) → 3-chloro-4-fluoronitrobenzene (350-30-1)

Guidance literature:

With potassium fluoride; AlCl₃;

Reference yield: 79.0%

3,4-dichloronitrobenzene (99-54-7) → 3,4-difluoronitrobenzene (369-34-6) + 3-chloro-4-fluoronitrobenzene (350-30-1)

Guidance literature:

With potassium fluoride; tetraphenylphosphonium bromide; at 175 - 195 ℃; for 30h; Yields of byproduct given;

upstream raw materials:

1-chloro-2-fluorobenzene

4-Fluoronitrobenzene

3,4-dichloronitrobenzene

2-chloro-4-nitro-1-(trifluoromethylsulfonyl)benzene

Downstream raw materials:

2-(2-chloro-4-nitrophenylsulfanyl)thiazole

2-(2-chloro-4-nitro-phenylsulfanyl)-1-methyl-1H-imidazole

3-chloro-4-(dimethylamino)nitrobenzene

2-(2-chloro-4-nitrophenylsulfanyl)-4-phenylthiazole

Refernces

• 1、 -. "Preparation method of 3-chloro-4-fluoronitrobenzene". Paragraph 0012; 0013; 0014; 0015; 0016; 0017; 0018. . Retrieved 2017/08/29.
• 2、 Fan, Ao,Chuah, Gaik-Khuan,Jaenicke, Stephan. "Phosphonium ionic liquids as highly thermal stable and efficient phase transfer catalysts for solid-liquid Halex reactions". . p. 300 - 304. Retrieved 2013/01/15.