5-(4-Carboxy-2-nitrophenoxy)isophthalic acid

Base Information

• Chemical Name: 5-(4-Carboxy-2-nitrophenoxy)isophthalic acid
• CAS No.: 143193-46-8
• Molecular Formula: C₁₅H₉NO₉
• Molecular Weight: 347.238
• Hs Code.: 2918990090
• European Community (EC) Number: 626-643-2
• DSSTox Substance ID: DTXSID30392228
• Nikkaji Number: J2.578.005A
• Wikidata: Q82190273
• Mol file: 143193-46-8.mol

Synonyms:5-(4-Carboxy-2-nitrophenoxy)isophthalic acid;143193-46-8;5-(4-carboxy-2-nitrophenoxy)benzene-1,3-dicarboxylic acid;1,3-Benzenedicarboxylicacid, 5-(4-carboxy-2-nitrophenoxy)-;4-(3,5-Dicarboxyphenoxy)-3-nitrobenzoic acid;SCHEMBL503621;DTXSID30392228;AKOS024370877;FT-0643356;5-(2-Nitro-4-carboxyphenoxy)isophthalic acid;J-007762

Chemical Property of 5-(4-Carboxy-2-nitrophenoxy)isophthalic acid

Chemical Property:

• Vapor Pressure: 7.38E-17mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 632.3°Cat760mmHg
• Flash Point: 336.2°C
• PSA: 166.95000
• Density: 1.657g/cm³
• LogP: 3.00490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 347.02773086
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-CARBOXY-2-NITROPHENOXY)ISOPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-(4-Carboxy-2-nitrophenoxy)isophthalic acid

There total 1 articles about 5-(4-Carboxy-2-nitrophenoxy)isophthalic 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:

→ 5-(4-carboxy-2-nitrophenoxy)isophthalic acid (143193-46-8)

Guidance literature:

Reference yield: 58.0%

5-(4-carboxy-2-nitrophenoxy)isophthalic acid (143193-46-8) + water (7732-18-5) + indium(III) acetate + 1,7-phenanthroline (230-46-6) → C15H6NO9(3-)*In(3+)*HO(1-)*0.5C12H8N2*H(1+)

Guidance literature:

at 175 ℃; for 48h; Autoclave; High pressure;

DOI:10.1002/chem.201504576

Reference yield: 55.0%

5-(4-carboxy-2-nitrophenoxy)isophthalic acid (143193-46-8) + gadolinium(III) nitrate hexahydrate + N,N-dimethyl-formamide (68-12-2,33513-42-7) → [Gd(5-(4-carboxy-2-nitrophenoxy)isophthalic acid(3-))(DMF)2]*0.25H2O

Guidance literature:

In ethanol; water; N,N-dimethyl-formamide; High Pressure; heating a mixt. of metal salt with ligand in DMF/ethanol/water at 110°C for 3 d, cooling to room temp. at 10°C/h; elem. anal.;

DOI:10.1039/c2dt12346k

Refernces

• 1、 -. "Naaladase inhibitors for treating amyotrophic lateral sclerosis". . . Retrieved 2008/06/13.