2-Chloroterephthalic acid

Base Information

• Chemical Name: 2-Chloroterephthalic acid
• CAS No.: 1967-31-3
• Molecular Formula: C8H5ClO4
• Molecular Weight: 200.578
• Hs Code.: 2915900090
• European Community (EC) Number: 217-817-5
• NSC Number: 20548
• UNII: MTF36HH2GJ
• DSSTox Substance ID: DTXSID50173339
• Nikkaji Number: J141.266C
• Wikidata: Q72459528
• Mol file: 1967-31-3.mol

Synonyms:2-Chloroterephthalic acid;1967-31-3;1,4-Benzenedicarboxylic acid, 2-chloro-;2-Chlorobenzene-1,4-dioic acid;MTF36HH2GJ;Terephthalic acid, chloro-;EINECS 217-817-5;NSC-20548;2-chloro-1,4-benzenedicarboxylic acid;NSC20548;chloroterephthalic acid;2-Chloroterephthalicacid;UNII-MTF36HH2GJ;2-chloro terephthalic acid;SCHEMBL68294;YSWG162;DTXSID50173339;AB8854;MFCD14635792;NSC 20548;2-chlorobenzene-1,4-dicarboxylic acid;AKOS016002749;CS-W006771;DS-3512;A880077;2-chloro-1,4-benzendicarboxylic acid

Chemical Property of 2-Chloroterephthalic acid

Chemical Property:

• Vapor Pressure: 3.91E-07mmHg at 25°C
• Melting Point: 306-308 °C
• Refractive Index: 1.63
• Boiling Point: 400.5°C at 760 mmHg
• PKA: 2.45±0.25(Predicted)
• Flash Point: 196°C
• PSA: 74.60000
• Density: 1.586 g/cm³
• LogP: 1.73640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.9876363
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-ChloroterephthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)Cl)C(=O)O

Technology Process of 2-Chloroterephthalic acid

There total 20 articles about 2-Chloroterephthalic 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: 84.0%

2-chloro-1,4-dimethyl-benzene (95-72-7) → 2-chloroterephthalic acid (1967-31-3)

Guidance literature:

With nitric acid; In water; at 170 ℃; for 16h; Autoclave;

DOI:10.1021/ic4005328

Reference yield: 75.0%

4-Methylbenzyl chloride (104-82-5) → 2-chloroterephthalic acid (1967-31-3)

Guidance literature:

With nitric acid;

Reference yield: 75.0%

→ 2-chloroterephthalic acid (1967-31-3)

Guidance literature:

upstream raw materials:

3-chloro-4-methylbenzoic acid

2-chloro-1,4-dimethyl-benzene

2-chloro-4-methylbenzoic acid

2-chloro-1,4-bis-(trichloromethyl)-benzene

Downstream raw materials:

2-chloro-N¹,N⁴-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)terephthalamide

Refernces

• 1、 Liang, Weibin,Babarao, Ravichandar,D'Alessandro, Deanna M.. "Microwave-assisted solvothermal synthesis and optical properties of tagged MIL-140A metal-organic frameworks". . p. 12878 - 12880. Retrieved 2013.
• 2、 Kalaj, Mark,Momeni, Mohammad R.,Bentz, Kyle C.,Barcus, Kyle S.,Palomba, Joseph M.,Paesani, Francesco,Cohen, Seth M.. "Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation". supporting information. p. 3481 - 3484. Retrieved 2019/03/26.
• 3、 Lammert, Martin,Wharmby, Michael T.,Smolders, Simon,Bueken, Bart,Lieb, Alexandra,Lomachenko, Kirill A.,De Vos, Dirk,Stock, Norbert. "Cerium-based metal organic frameworks with UiO-66 architecture: Synthesis, properties and redox catalytic activity". supporting information. p. 12578 - 12581. Retrieved 2015/08/06.