(3-Nitrophenoxy)acetic acid

Base Information

• Chemical Name: (3-Nitrophenoxy)acetic acid
• CAS No.: 1878-88-2
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 29189990
• European Community (EC) Number: 217-528-4
• NSC Number: 193418
• UNII: ZZ9BQ6C998
• DSSTox Substance ID: DTXSID20172091
• Nikkaji Number: J199.697E
• Wikidata: Q72495130
• ChEMBL ID: CHEMBL3247409
• Mol file: 1878-88-2.mol

Synonyms:3-Nitrophenoxyacetic Acid;1878-88-2;2-(3-nitrophenoxy)acetic acid;(3-Nitrophenoxy)acetic acid;M-NITROPHENOXYACETIC ACID;3-Nitrophenoxy Acetic Acid;Acetic acid, 2-(3-nitrophenoxy)-;EINECS 217-528-4;NSC 193418;NSC-193418;(3-nitrophenoxy)-acetic acid;(3-nitrophenoxy) acetic acid;2-(3-nitrophenoxy)aceticacid;SCHEMBL217722;(3-Nitro-phenoxy)-acetic acid;(3-Nitrophenoxy)acetic acid #;ZZ9BQ6C998;Acetic acid, (m-nitrophenoxy)-;CHEMBL3247409;Acetic acid, (3-nitrophenoxy)-;DTXSID20172091;3-Nitrophenoxyacetic acid;>98%;MFCD00059826;NSC193418;AKOS000129418;AS-60944;CS-0207031;FT-0701463;N0224;EN300-33520;A50580;AE-562/43460244;W-107762;Z149328506

Chemical Property of (3-Nitrophenoxy)acetic acid

Chemical Property:

• Appearance/Colour: yellow-beige crystalline powder
• Melting Point: 156-161 °C
• Boiling Point: 389.65 °C at 760 mmHg
• PKA: pK1:2.951 (25°C)
• Flash Point: 189.454 °C
• PSA: 92.35000
• Density: 1.445 g/cm³
• LogP: 1.58140
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

3-Nitrophenoxyacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 44-36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Nitrophenoxy)acetic acid

There total 17 articles about (3-Nitrophenoxy)acetic 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: 71.0%

glycolic Acid (79-14-1) + m-iodonitrobenzene (645-00-1) → 2-(3-nitrophenoxy)acetic acid (1878-88-2)

Guidance literature:

With copper(l) iodide; caesium carbonate; In water; dimethyl sulfoxide; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jo400702z

Reference yield:

2-(3-nitrophenoxy)-acetic acid ethyl ester (5544-77-4) → 2-(3-nitrophenoxy)acetic acid (1878-88-2)

Guidance literature:

With sodium hydroxide; water; In methanol;

DOI:10.1016/j.bmc.2008.10.011

Reference yield:

meta-nitrophenol (554-84-7) + ethyl bromoacetate (105-36-2) → 2-(3-nitrophenoxy)acetic acid (1878-88-2)

Guidance literature:

meta-nitrophenol; ethyl bromoacetate; With potassium carbonate; In acetone; for 2h; Reflux;

With sodium hydroxide; In acetone; at 20 ℃; for 2h;

upstream raw materials:

meta-nitrophenol

chloroacetic acid

1-methoxycarbonylmethyloxy-3-nitrobenzene

sodium monochloroacetic acid

Downstream raw materials:

(3-amino-phenoxy)-acetic acid

3-nitrophenoxyacetyl chloride

4-[(3-nitro-phenoxy)-acetyl]-morpholine

1-methoxycarbonylmethyloxy-3-nitrobenzene