5-Chloroisophthalic acid

Base Information

• Chemical Name: 5-Chloroisophthalic acid
• CAS No.: 2157-39-3
• Molecular Formula: C8H5 Cl O4
• Molecular Weight: 200.578
• Hs Code.: 2917399090
• European Community (EC) Number: 218-468-1
• DSSTox Substance ID: DTXSID5062217
• Nikkaji Number: J153.031C
• Wikidata: Q81989912
• Mol file: 2157-39-3.mol

Synonyms:5-Chloroisophthalic acid;2157-39-3;5-chlorobenzene-1,3-dicarboxylic acid;1,3-Benzenedicarboxylic acid, 5-chloro-;MFCD18393556;5-chloroisophthalicacid;SCHEMBL69625;DTXSID5062217;AMY28294;EINECS 218-468-1;AC2066;AKOS017553019;AS-19919;SY027452;CS-0060192

Chemical Property of 5-Chloroisophthalic acid

Chemical Property:

• Vapor Pressure: 5.78E-08mmHg at 25°C
• Melting Point: 279-280 °C
• Boiling Point: 424.5°Cat760mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 210.6°C
• PSA: 74.60000
• Density: 1.586g/cm³
• LogP: 1.73640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.9876363
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99%, ^*data from raw suppliers

5-ChloroisophthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloroisophthalic acid

There total 12 articles about 5-Chloroisophthalic 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:

3-Chloro-5-Methylbenzoic Acid (56961-33-2) → 5-chloro-isophthalic acid (2157-39-3) + 5-Hydroxyisophthalic acid (618-83-7)

Guidance literature:

With potassium hydroxide; potassium permanganate;

Reference yield:

3-Chloro-5-Methylbenzoic Acid (56961-33-2) → 5-chloro-isophthalic acid (2157-39-3) + 5-Hydroxyisophthalic acid (618-83-7)

Guidance literature:

Reference yield:

1-chloro-3,5-dimethylbenzene (556-97-8) + tert-butyl alcohol (75-65-0) → 4-chlorophthalic acid (89-20-3) + 5-chloro-isophthalic acid (2157-39-3)

Guidance literature:

In potassium permanganate; water;

upstream raw materials:

5-chloroisophthalic acid chloride

5-chloro-1,3-bis-(trichloromethyl)-benzene

3-Chloro-5-Methylbenzoic Acid

5-nitrobenzene-1,3-dicarboxylic acid

Downstream raw materials:

6-chloro-N-(3-chloro-5-((3,5-dichloro-2-hydroxy-N-isobutylphenylsulfonamido)methyl)benzyl)-N-isobutylnicotinamide

N-(3-chloro-5-((5-dichloro-1-hydroxy-N-isobutylphenylsulfonamido)methyl)benzyl)-N-isobutylpyridin-3-sulfonamide

tert-butyl 3-chloro-5-((3,5-dichloro-2-hydroxy-N-isobutylphenylsulfonamido)methyl)benzyl(isobutyl)carbamate

3,5-dichloro-N-(3-chloro-5-((isobutylamino)methyl)benzyl)-2-hydroxy-N-isobutylbenzenesulfonamide

Refernces