4-Chloro-3-nitrophenylacetic acid

Base Information

• Chemical Name: 4-Chloro-3-nitrophenylacetic acid
• CAS No.: 37777-68-7
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.59
• Hs Code.: 2916399090
• European Community (EC) Number: 835-025-3
• DSSTox Substance ID: DTXSID90958824
• Nikkaji Number: J62.889A
• Wikidata: Q72455923
• Mol file: 37777-68-7.mol

Synonyms:4-CHLORO-3-NITROPHENYLACETIC ACID;37777-68-7;2-(4-chloro-3-nitrophenyl)acetic acid;3-nitro-4-chlorophenylacetic acid;(4-chloro-3-nitrophenyl)acetic acid;4-Chloro-3-Nitrophenylaceticacid;MFCD00016990;Benzeneacetic acid, 4-chloro-3-nitro-;SCHEMBL1865348;DTXSID90958824;4-chloro-3-nitro-phenylacetic acid;AC-945;BBL100172;STL490568;AKOS002287601;DS-12312;SY005241;AM20050187;C3347;FT-0649491;EN300-706213;A823865;J-515027

Chemical Property of 4-Chloro-3-nitrophenylacetic acid

Chemical Property:

• Vapor Pressure: 3.6E-07mmHg at 25°C
• Melting Point: 106.0 to 110.0 °C
• Refractive Index: 1.61
• Boiling Point: 401.587 °C at 760 mmHg
• PKA: 3.91±0.10(Predicted)
• Flash Point: 196.673 °C
• PSA: 83.12000
• Density: 1.533 g/cm³
• LogP: 2.39850
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-nitrophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])Cl

Technology Process of 4-Chloro-3-nitrophenylacetic acid

There total 2 articles about 4-Chloro-3-nitrophenylacetic 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:

4-chlorophenylacetic Acid (1878-66-6) → 4-chloro-3-nitro-phenylacetic acid (37777-68-7)

Guidance literature:

With potassium nitrate; sulfuric acid; at 0 ℃; for 1.5h;

Reference yield:

→ 4-chloro-3-nitro-phenylacetic acid (37777-68-7)

Guidance literature:

/BRN= 639111/ in konz.HCl, Δ;

Reference yield:

4-chloro-3-nitro-phenylacetic acid (37777-68-7) → 2-(4-chloro-3-nitrophenyl)ethanol (89979-05-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 45 ℃; for 1h;

upstream raw materials:

4-chlorophenylacetic Acid

Downstream raw materials:

4-chloro-3-nitrophenylacetic acid methyl ester

5-(2-hydroxyethyl)-2-thioxo-2,3-dihydrobenzothiazole

5-carboxymethyl-2-thioxo-2,3-dihydrobenzothiazole

2-(4-chloro-3-nitrophenyl)ethanol

Refernces