2-Chloro-4-fluoro-5-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Chloro-4-fluoro-5-nitrobenzaldehyde
• CAS No.: 99329-85-8
• Molecular Formula: C7H3ClFNO3
• Molecular Weight: 203.557
• DSSTox Substance ID: DTXSID70543919
• Wikidata: Q82420887
• Mol file: 99329-85-8.mol

Synonyms:2-CHLORO-4-FLUORO-5-NITROBENZALDEHYDE;99329-85-8;MFCD17168722;Benzaldehyde, 2-chloro-4-fluoro-5-nitro-;SCHEMBL4647602;DTXSID70543919;HNOIAPRHNXBCAE-UHFFFAOYSA-N;ZDA32985;AKOS016011398;AM62561;DS-6271;SY103237;CS-0039219;EN300-2184311;A857651;Z1269156562

Chemical Property of 2-Chloro-4-fluoro-5-nitrobenzaldehyde

Chemical Property:

• Boiling Point: 303.6±42.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.576±0.06 g/cm3(Predicted)
• LogP: 2.72300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.9785488
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-fluoro-5-nitrobenzaldehyde 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4-fluoro-5-nitrobenzaldehyde

There total 5 articles about 2-Chloro-4-fluoro-5-nitrobenzaldehyde 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: 92.1%

2-chloro-4-fluorobenzaldehyde (84194-36-5) → 2-chloro-4-fluoro-5-nitro-benzaldehyde (99329-85-8)

Guidance literature:

With sulfuric acid; potassium nitrate; at 5 - 20 ℃; for 3h; Temperature;

Reference yield:

2-chloro-4-fluorobenzaldehyde (84194-36-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-chloro-4-fluoro-5-nitro-benzaldehyde (99329-85-8)

Guidance literature:

With sulfuric acid; potassium nitrate; In dichloromethane; water;

Reference yield:

2-chloro-4-fluorotoluene (452-73-3) → 2-chloro-4-fluoro-5-nitro-benzaldehyde (99329-85-8)

Guidance literature:

Multi-step reaction with 3 steps

1: chlorine / 60 - 70 °C / UV-irradiation; Flow reactor

2: water; tetrabutylammomium bromide / 70 °C

3: sulfuric acid; potassium nitrate / 3 h / 5 - 20 °C

With sulfuric acid; tetrabutylammomium bromide; water; chlorine; potassium nitrate;

upstream raw materials:

2-chloro-4-fluorobenzaldehyde

1,2-dichloro-ethane

2-chloro-4-fluorotoluene

Downstream raw materials:

2-chloro-4-fluoro-5-nitrobenzenemethanol

1-chloro-2-(difluoromethyl)-5-fluoro-4-nitrobenzene

Refernces

• 1、 -. "COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE". Page/Page column 87. . Retrieved 2010/11/26.
• 2、 -. "9-Arylimino-8 thia-1,6-Duzafucyclo[4.3.0] nomane-7-one (and thione) herbicides". . . Retrieved 2008/06/13.