4-(Chlorocarbonyl)benzoic acid

Base Information

• Chemical Name: 4-(Chlorocarbonyl)benzoic acid
• CAS No.: 18708-46-8
• Molecular Formula: C8H5 Cl O3
• Molecular Weight: 184.579
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90491887
• Nikkaji Number: J27.027J
• Wikidata: Q82336991
• Mol file: 18708-46-8.mol

Synonyms:4-(Chlorocarbonyl)benzoic acid;18708-46-8;4-carbonochloridoylbenzoic acid;p-carboxybenzoyl chloride;4-carboxybenzoyl chloride;4-(Chlorocarbonyl)benzoicacid;SCHEMBL479950;DTXSID90491887;OYEQKMASMPBQMP-UHFFFAOYSA-N;AKOS006295780;FT-0746002;A907636

Chemical Property of 4-(Chlorocarbonyl)benzoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 1.76380
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.9927217
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

4-(Chlorocarbonyl)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)C(=O)Cl
• Uses: Terephthalic Monochloride acts as a synthetic reagent for the preparation of oxadiazole class of antibiotics.

Technology Process of 4-(Chlorocarbonyl)benzoic acid

There total 8 articles about 4-(Chlorocarbonyl)benzoic 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:

terephthalic acid (100-21-0) + acetyl chloride (75-36-5) → terephthaloyl chloride (18708-46-8) + terephthaloyl chloride (100-20-9)

Guidance literature:

at 130 ℃;

Reference yield:

terephthaloyl chloride (100-20-9) → terephthaloyl chloride (18708-46-8)

Guidance literature:

With water;

DOI:10.1021/jo50018a007

Reference yield:

terephthalic acid (100-21-0) → terephthaloyl chloride (18708-46-8)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1039/d0ra03812a

upstream raw materials:

terephthalic acid

acetyl chloride

terephthaloyl chloride

(R)-Citronellal

Downstream raw materials:

N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,4-benzenedicarboxamide

4-(carboxy)-N-(4-nitrophenyl)benzamide

terephthalic acid

terephthalamide