5-Chloro-2-nitrobenzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-nitrobenzaldehyde
• CAS No.: 6628-86-0
• Molecular Formula: C7H4 Cl N O3
• Molecular Weight: 185.567
• Hs Code.: 2913000090
• European Community (EC) Number: 229-614-9
• NSC Number: 59734
• UNII: 8RDX889QNB
• DSSTox Substance ID: DTXSID40216486
• Nikkaji Number: J60.296E
• Wikidata: Q72455677
• Mol file: 6628-86-0.mol

Synonyms:5-Chloro-2-nitrobenzaldehyde;6628-86-0;2-Nitro-5-chlorobenzaldehyde;Benzaldehyde, 5-chloro-2-nitro-;5-chloro-2-nitro-benzaldehyde;8RDX889QNB;EINECS 229-614-9;MFCD00007289;NSC-59734;NSC59734;UNII-8RDX889QNB;SCHEMBL40312;3-chloro-6-nitrobenzaldehyde;5-chloro-2-nitro benzoaldehyde;SCHEMBL14904460;DTXSID40216486;BBL101162;NSC 59734;STL554958;AKOS005257184;AB00867;AC-7257;CS-W007862;PS-3372;BP-20158;SY005408;AM20040979;FT-0620276;5-Chloro-2-nitrobenzaldehyde, technical grade;EN300-82360;A24108;W-104763;Z1236003426

Chemical Property of 5-Chloro-2-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: yellow crystal
• Vapor Pressure: 0.000608mmHg at 25°C
• Melting Point: 75-77 ºC
• Boiling Point: 310.2 °C at 760 mmHg
• Flash Point: 141.4 °C
• PSA: 62.89000
• Density: 1.485 g/cm³
• LogP: 2.58390
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi,C,F,N
• Hazard Codes: Xi,C,F,N
• Statements: 36/37/38-43-34-14/15-50/53
• Safety Statements: 22-24/25-36/37-26-45-43-36/37/39-36-7/8-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Chloro-2-nitrobenzaldehyde

There total 15 articles about 5-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: 99.0%

5-chloro-2-nitrobenzyl alcohol (73033-58-6) → 5-chloro-2-nitrobenzaldehyde (6628-86-0)

Guidance literature:

With Iron(III) nitrate nonahydrate; tempol; oxygen; sodium chloride; In 1,2-dichloro-ethane; at 25 ℃; for 6h; chemoselective reaction;

DOI:10.1021/acs.oprd.8b00374

Reference yield: 97.0%

methyl 5-chloro-2-nitrobenzoate (51282-49-6) → 5-chloro-2-nitrobenzaldehyde (6628-86-0)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 0.75h;

DOI:10.1021/jo070740r

Reference yield: 95.0%

5-chloro-2-nitrobenzaldehyde O-methyloxime → 5-chloro-2-nitrobenzaldehyde (6628-86-0)

Guidance literature:

With formaldehyd; toluene-4-sulfonic acid; In tetrahydrofuran; water; at 110 ℃; for 8h; Sealed tube;

upstream raw materials:

m-Chlorobenzaldehyde

5-chloro-2-nitrobenzylidene dichloride

5-chloro-2-nitrobenzyl alcohol

5-chloro-2-nitrobenzyl phenyl sulfone

Downstream raw materials:

2-phenyl-3t-(5-chloro-2-nitro-phenyl)-acrylic acid

isonicotinic acid-(5-chloro-2-nitro-benzylidenehydrazide)

5-chloro-2-nitro-mandelonitrile

5-chloro-2-nitro-trans-cinnamic acid

Refernces

• 1、 Delost, Michael D.,Njardarson, Jon T.. "Mild Darzens Annulations for the Assembly of Trifluoromethylthiolated (SCF3) Aziridine and Cyclopropane Structures". supporting information. p. 6121 - 6125. Retrieved 2021/08/16.
• 2、 Ma, Chao,Du, Ke,Zhao, Ying,Zhang, Linkui,Hu, Baichun,Cheng, Maosheng. "Pyrrolo[2,1-c][1,4] benzodiazepine-3,11-diones protect SHSY-5Y cells from Cd-induced apoptosis involving suppression of endoplasmic reticulum stress". . p. 5151 - 5158. Retrieved 2018/09/27.