2,5-Dichloroterephthalic acid

Base Information

• Chemical Name: 2,5-Dichloroterephthalic acid
• CAS No.: 13799-90-1
• Molecular Formula: C8H4Cl2O4
• Molecular Weight: 235.023
• Hs Code.: 29173619
• European Community (EC) Number: 237-454-6
• NSC Number: 59392
• UNII: G76YF4P6HM
• DSSTox Substance ID: DTXSID3074733
• Nikkaji Number: J81.685J
• Wikidata: Q72468219
• Mol file: 13799-90-1.mol

Synonyms:2,5-Dichloroterephthalic acid;13799-90-1;2,5-dichlorobenzene-1,4-dicarboxylic acid;1,4-Benzenedicarboxylic acid, 2,5-dichloro-;AI3-33425;Terephthalic acid, 2,5-dichloro-;EINECS 237-454-6;NSC-59392;2,5-dichloroterephthalate;NSC59392;G76YF4P6HM;2,5-Dichloroterephthalicacid;SCHEMBL68449;YSWG464;Terephthalic acid,5-dichloro-;2,5-dichloro-terephthalic acid;DTXSID3074733;MFCD00058982;NSC 59392;STK396688;AKOS003614438;CS-W014161;NCGC00341841-01;AC-16404;AS-18907;2,5-dichloro-1,4-benzenedicarboxylic acid;AM20020455;D1698;FT-0610331;AB01334511-02;A807324

Chemical Property of 2,5-Dichloroterephthalic acid

Chemical Property:

• Appearance/Colour: White Powder
• Vapor Pressure: 2.57E-07mmHg at 25°C
• Melting Point: 295℃
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 405.9 °C at 760 mmHg
• PKA: 1.72±0.25(Predicted)
• Flash Point: 199.3 °C
• PSA: 74.60000
• Density: 1.698 g/cm³
• LogP: 2.38980
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: very faint turbidity in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.9486640
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichloroterephthalic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: 36/37/38:
• 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=C(C(=CC(=C1Cl)C(=O)O)Cl)C(=O)O

Technology Process of 2,5-Dichloroterephthalic acid

There total 18 articles about 2,5-Dichloroterephthalic 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: 86.0%

→ 2,5-dichloroterephthalic acid (13799-90-1)

Guidance literature:

Reference yield: 72.0%

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) → 2,5-dichloroterephthalic acid (13799-90-1)

Guidance literature:

With potassium permanganate; In pyridine;

Reference yield: 71.0%

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) → 2,5-dichloroterephthalic acid (13799-90-1) + 2,5-dichloro-p-carboxybenzaldehyde (128230-05-7)

Guidance literature:

With oxygen; cobalt(II) acetate; sodium bromide; In acetic acid; at 95 ℃; under 760 Torr;

upstream raw materials:

2,5-dichloro-1,4-bis-(trichloromethyl)-benzene

formaldehyd

benzene

1,4-dichloro-2,5-dimethylbenzene

Downstream raw materials:

dimethyl 2,5-dichloro-terephthalate

2,5-dichloro-terephthalic acid monomethyl ester

2,5-dichlorobenzene-1,4-dimethanol

2,5-dichloroterephthaloyl dichloride

Refernces

• 1、 -. "Quinacridone nanoscale pigment particles". Page/Page column 21-22. . Retrieved 2008/12/07.
• 2、 Eller,Wimmer,Holzer. "Synthesis of novel polycyclic ring systems containing two pyrano[2,3-c]pyrazol-4-(1H)one moieties". . p. 1060 - 1064. Retrieved 2008/09/18.