Nitroterephthalic acid

Base Information

• Chemical Name: Nitroterephthalic acid
• CAS No.: 610-29-7
• Molecular Formula: C8H5NO6
• Molecular Weight: 211.131
• Hs Code.: 29173990
• European Community (EC) Number: 210-217-4
• NSC Number: 75848
• DSSTox Substance ID: DTXSID8060583
• Nikkaji Number: J95.079C,J2.770.669J
• Wikidata: Q72496265
• Mol file: 610-29-7.mol

Synonyms:Nitroterephthalic acid;2-Nitroterephthalic acid;610-29-7;2-nitrobenzene-1,4-dicarboxylic acid;1,4-Benzenedicarboxylic acid, 2-nitro-;Terephthalic acid, nitro-;5-Nitroterephthalic acid;EINECS 210-217-4;MFCD00007141;NSC 75848;2-nitroterephthalicacid;2-nitroterephthalate;PONASTERONEA;2-Nitro-p-phthalic acid;Oprea1_354265;SCHEMBL145092;DTXSID8060583;2-Nitroterephthalic acid, >=99%;NSC75848;NSC-75848;STK696268;AKOS000120430;UPCMLD0ENAT5641084:001;AM808238;AS-17745;SY035578;CS-0110066;EU-0052494;FT-0613222;N0272;EN300-18216;A868825;Nitroterephthalic acid, purum, >=99.0% (HPLC);Z57380016;F1565-0140

Chemical Property of Nitroterephthalic acid

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 4.62E-09mmHg at 25°C
• Melting Point: 270-272 °C(lit.)
• Refractive Index: 1.66
• Boiling Point: 454.781 °C at 760 mmHg
• PKA: pK1:1.73 (25°C)
• Flash Point: 205.463 °C
• PSA: 120.42000
• Density: 1.671 g/cm³
• LogP: 1.51440
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in Methanol
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 211.01168688
• Heavy Atom Count: 15
• Complexity: 296

Purity/Quality:

98%, ^*data from raw suppliers

Nitroterephthalic Acid ^*data from reagent suppliers

Safty Information:

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

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-])C(=O)O

Technology Process of Nitroterephthalic acid

There total 19 articles about Nitroterephthalic 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: 98.0%

dimethyl 2-nitroterephthalate (5292-45-5) → 2-nitroterephthalic acid (610-29-7)

Guidance literature:

With sodium hydroxide; In methanol; at 60 ℃; for 5h;

DOI:10.1021/acs.jmedchem.6b01063

Reference yield: 85.0%

terephthalic acid (100-21-0) → 2-nitroterephthalic acid (610-29-7)

Guidance literature:

With fuming sulphuric acid; nitric acid; at 25 - 90 ℃; for 4h;

DOI:10.1039/c5ra25909f

Reference yield:

4-methyl-3-nitrobenzoic acid (96-98-0) → 2-nitroterephthalic acid (610-29-7)

Guidance literature:

With sodium hydroxide; permanganate(VII) ion;

upstream raw materials:

4-methyl-3-nitrobenzoic acid

terephthalic acid

mononitro-p-xylene

4-methyl-3-nitrobenzyl chloride

Downstream raw materials:

dimethyl 2-nitroterephthalate

2-nitro-4-methoxycarbonylbenzoic acid

3-aminoterephthalic acid

Nitroterephthalsaeuredichlorid

Refernces

• 1、 Sonawane, Sanjeevani H.,Anniyappan,Athar, Javaid,Banerjee, Shaibal,Sikder, Arun K.. "Synthesis of bis(propargyl) aromatic esters and ethers: A potential replacement for isocyanate based curators". . p. 8495 - 8502. Retrieved 2016/02/05.
• 2、 Li, Zijing,Zhang, Xuran,Zhang, Xiaoyang,Cui, Mengchao,Lu, Jie,Pan, Xiaodong,Zhang, Xianzhong. "18F-Labeled Benzyldiamine Derivatives as Novel Flexible Probes for Positron Emission Tomography of Cerebral β-Amyloid Plaques". . p. 10577 - 10585. Retrieved 2016/12/16.