4-(4-Nitrophenoxy)benzoic acid

Base Information

• Chemical Name: 4-(4-Nitrophenoxy)benzoic acid
• CAS No.: 16309-45-8
• Molecular Formula: C13H9NO5
• Molecular Weight: 259.218
• Hs Code.: 2918990090
• European Community (EC) Number: 624-544-9
• NSC Number: 157675
• DSSTox Substance ID: DTXSID90303274
• Wikidata: Q82048462
• Mol file: 16309-45-8.mol

Synonyms:4-(4-Nitrophenoxy)benzoic acid;16309-45-8;Benzoic acid, 4-(4-nitrophenoxy)-;Benzoic acid,4-(4-nitrophenoxy)-;NSC157675;Cambridge id 5127965;Oprea1_486640;Oprea1_585248;CBDivE_001307;4-(4-Nitrophenoxy)benzoicacid;SCHEMBL6623045;DTXSID90303274;XTVBFFGZCMYUJX-UHFFFAOYSA-N;MFCD00429494;AKOS000732448;NSC-157675;4-(4-Nitrophenoxy)benzoic acid, 97%;LS-03583;CS-0198970;EU-0067113;FT-0683292;A12122;A810443;J-010000

Chemical Property of 4-(4-Nitrophenoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 3.91E-08mmHg at 25°C
• Melting Point: 238-242 °C
• Refractive Index: 1.636
• Boiling Point: 429.3 °C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 213.4 °C
• PSA: 92.35000
• Density: 1.405 g/cm³
• LogP: 3.60850
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 259.04807239
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Nitrophenoxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 22-43-50
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-(4-Nitrophenoxy)benzoic acid

There total 15 articles about 4-(4-Nitrophenoxy)benzoic acid 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: 95.0%

4-chlorobenzonitrile (100-00-5) + 4-hydroxy-benzoic acid (99-96-7) → 4-(4-nitrophenoxy)benzoic acid (16309-45-8)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 80 ℃; for 1h; Sonication;

DOI:10.1007/s11172-015-1102-4

Reference yield: 95.0%

4-(4-nitrophenoxy)toluene (3402-74-2) → 4-(4-nitrophenoxy)benzoic acid (16309-45-8)

Guidance literature:

With pyridine; potassium permanganate; sodium hydroxide; In water; at 100 ℃; for 10.5h; Reflux;

DOI:10.1039/c3ra45313h

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-(4'-cyanophenoxy)benzonitrile (6508-04-9) + 4-(4-nitrophenoxy)benzonitrile (17076-68-5) + 4-(4-nitrophenoxy)benzoic acid (16309-45-8)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 0.166667h; Heating; microwave irradiation;

DOI:10.1055/s-2005-865321

upstream raw materials:

4-(4-nitrophenoxy)toluene

4-(4-nitrophenoxy)benzaldehyde

4-chlorobenzonitrile

4-Fluoronitrobenzene

Downstream raw materials:

methyl 4-(4-nitrophenoxy)benzoate

4-(4-aminophenoxy) benzoic acid

4-(4-nitro-phenoxy)-benzoyl chloride

4-nitrophenylhydrazone