4-Chlorophthalic acid

Base Information

• Chemical Name: 4-Chlorophthalic acid
• CAS No.: 89-20-3
• Molecular Formula: C8H5ClO4
• Molecular Weight: 200.578
• Hs Code.: 2917399090
• European Community (EC) Number: 201-886-3
• NSC Number: 57755
• UNII: F7T40O3AM6
• DSSTox Substance ID: DTXSID2045022
• Nikkaji Number: J95.379B
• Wikidata: Q27277785
• Mol file: 89-20-3.mol

Synonyms:4-CHLOROPHTHALIC ACID;89-20-3;1,2-Benzenedicarboxylic acid, 4-chloro-;4-Chloro-phthalic acid;Phthalic acid, 4-chloro-;4-Chlorophthalicacid;C8H5ClO4;4-chlorobenzene-1,2-dicarboxylic acid;UNII-F7T40O3AM6;F7T40O3AM6;EINECS 201-886-3;MFCD00044755;NSC 57755;NSC-57755;4-chlorphthalsyre;4 -chlorophthalic acid;Maybridge1_002266;4-CHLORO-1,2-BENZENEDICARBOXYLIC ACID;SCHEMBL1000440;DTXSID2045022;HMS547O22;AMY28253;NSC57755;BBL035506;STL426764;AKOS015961629;CCG-233831;SB39651;AC-14544;AS-14281;J95.379B;SY083787;CS-0101178;FT-0618255;A843091;W-100382;Q27277785

Chemical Property of 4-Chlorophthalic acid

Chemical Property:

• Vapor Pressure: 4.22E-07mmHg at 25°C
• Melting Point: 157 °C
• Refractive Index: 1.63
• Boiling Point: 399.5 °C at 760 mmHg
• PKA: 2.88±0.10(Predicted)
• Flash Point: 195.4 °C
• PSA: 74.60000
• Density: 1.586 g/cm³
• LogP: 1.73640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• 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:

97% ^*data from raw suppliers

4-Chlorophthalicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O

Technology Process of 4-Chlorophthalic acid

There total 57 articles about 4-Chlorophthalic 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: 95.0%

4,5-dichlorophthalic anhydride (942-06-3) → 4-chlorophthalic acid (89-20-3)

Guidance literature:

With aq. NaOH; zinc;

Reference yield:

2,4 dichlorobenzoic acid (50-84-0) + carbon monoxide (201230-82-2) → 4-chlorophthalic acid (89-20-3) + terephthalic acid (100-21-0) + 1,2,4-benzene tricarboxylic acid (528-44-9) + 2-chloroterephthalic acid (1967-31-3) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With sodium hydroxide; dicobalt octacarbonyl; In water; at 65 ℃; for 6h; under 1471.02 Torr; Product distribution; Irradiation;

DOI:10.1246/cl.1986.299

Reference yield:

4,4'-oxydiphthalic dianhydride (1823-59-2) + 4-chlorophthalic anhydride (118-45-6) → 4-chlorophthalic acid (89-20-3) + 4,4'-oxydiphthalic acid (7717-76-2)

Guidance literature:

With phosphoric acid; water; In 1,2-dichloro-benzene; at 80 ℃; Product distribution / selectivity; vacuum;

upstream raw materials:

tetrachloromethane

4-nitrophthalic acid

6-chloro-1-indanone

2,7-dichloronaphthalene

Downstream raw materials:

dimethyl 4-chlorophthalate

4-chlorodiethylphthalate

4-chlorophthalic anhydride

4-hydroxyphthalic acid