4-Chloro-2,5-difluorobenzoic acid

Base Information

• Chemical Name: 4-Chloro-2,5-difluorobenzoic acid
• CAS No.: 132794-07-1
• Molecular Formula: C7H3ClF2O2
• Molecular Weight: 192.549
• Hs Code.: 29163990
• European Community (EC) Number: 626-140-8
• DSSTox Substance ID: DTXSID40369825
• Wikidata: Q72462736
• Mol file: 132794-07-1.mol

Synonyms:4-Chloro-2,5-difluorobenzoic acid;132794-07-1;2,5-DIFLUORO-4-CHLOROBENZOIC ACID;Benzoic acid, 4-chloro-2,5-difluoro-;4-Chloro-2,5-difluorobenzoicacid;4-chloro-2,5-difluoro-benzoic Acid;SCHEMBL223134;DTXSID40369825;PEPCYJSDHYMIFN-UHFFFAOYSA-N;2,5-difluoro-4-chloro-benzoic acid;2.5-difluoro-4-chloro-benzoic acid;MFCD00077480;AKOS005063903;AM62552;AC-26018;AS-62575;4-Chloro-2,5-difluorobenzoic acid, 98%;A2807;CS-0020037;FT-0617999;EN300-111403;5,7-DIHYDROXY-3,3,4,5-TETRAMETHOXYFLAVONE;J-006224;Z1203161787

Chemical Property of 4-Chloro-2,5-difluorobenzoic acid

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.00217mmHg at 25°C
• Melting Point: 154-157 °C(lit.)
• Boiling Point: 277.5 °C at 760 mmHg
• PKA: 2.70±0.10(Predicted)
• Flash Point: 121.6 °C
• PSA: 37.30000
• Density: 1.573 g/cm³
• LogP: 2.31640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.9789634
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2,5-difluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)F)C(=O)O

Technology Process of 4-Chloro-2,5-difluorobenzoic acid

There total 3 articles about 4-Chloro-2,5-difluorobenzoic 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: 79.0%

→ 4-chloro-2,5-difluoro-benzoic acid (132794-07-1)

Guidance literature:

Reference yield:

potassium hypochlorite + 4'-chloro-2',5'-difluoroacetophenone (655-12-9) → 4-chloro-2,5-difluoro-benzoic acid (132794-07-1)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In water;

Reference yield:

4-chloro-2,5-difluoro-α,α-dichloroacetophenone + sodium disulfite → 4-chloro-2,5-difluoro-benzoic acid (132794-07-1)

Guidance literature:

With hydrogenchloride; In sodium hypobromide; water;

upstream raw materials:

4'-chloro-2',5'-difluoroacetophenone

Downstream raw materials:

4-chloro-5-fluoro-2-(3-methoxy-2-methyl-phenoxy)-N-methyl-benzamide

4-chloro-2-fluoro-5-methoxybenzoic acid

2-(4-chloro-2-fluoro-5-methoxyphenyl)acetonitrile

1-(bromomethyl)-4-chloro-2-fluoro-5-methoxy benzene

Refernces

• 1、 -. "Novel intermediates for the production of 2,4,5-trifluorobenzoyl fluoride". . . Retrieved 2008/06/13.