3-Chloro-2-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Chloro-2-nitrobenzaldehyde
• CAS No.: 22233-52-9
• Molecular Formula: C7H4ClNO3
• Molecular Weight: 185.567
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID80482320
• Mol file: 22233-52-9.mol

Synonyms:3-CHLORO-2-NITROBENZALDEHYDE;22233-52-9;MFCD06797953;BENZALDEHYDE, 3-CHLORO-2-NITRO-;SCHEMBL2366617;DTXSID80482320;WKHILFGJMAXBNZ-UHFFFAOYSA-N;AMY28110;AKOS006230548;AB29740;AC-29546;AS-33050;SY036749;CS-0060306;EN300-122187;A856736;Z1198170718

Chemical Property of 3-Chloro-2-nitrobenzaldehyde

Chemical Property:

• Boiling Point: 313.6±27.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.485±0.06 g/cm3(Predicted)
• LogP: 2.58390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.9879707
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chloro-2-nitrobenzaldehyde

There total 7 articles about 3-Chloro-2-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: 94.0%

3-chloro-2-nitro-benzoic acid methyl ester (42087-81-0) → 3-chloro-2-nitrobenzaldehyde (22233-52-9)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 0.25h;

DOI:10.1021/jo070740r

Reference yield: 94.0%

(3-chloro-2-nitrophenyl)methanol (77158-86-2) → 3-chloro-2-nitrobenzaldehyde (22233-52-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; Molecular sieve;

Reference yield: 91.0%

C15H14ClN3O3 (160088-50-6) → 3-chloro-2-nitrobenzaldehyde (22233-52-9)

Guidance literature:

With sulfuric acid; 1.) room temperature, 1.5 h, 2.) 50 deg C, 50 min, 3.) 100 deg C, 5 min;

upstream raw materials:

p-dimethylaminonitrosobenzene

C₁₅H₁₄ClN₃O₃

(3-chloro-2-nitrophenyl)methanol

3-chloro-2-nitro-benzoic acid methyl ester

Downstream raw materials:

N-(3-chloro-2-nitrobenzylidene)-o-phenylenediamine

C₈H₄NO₂Cl

2-amino-3-chlorophenylformaldehyde

2,8-dichloroquinazoline