3-Chloro-4-(propan-2-yl)benzoic acid

Base Information

• Chemical Name: 3-Chloro-4-(propan-2-yl)benzoic acid
• CAS No.: 161622-06-6
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.649
• DSSTox Substance ID: DTXSID301284680
• Mol file: 161622-06-6.mol

Synonyms:3-chloro-4-(propan-2-yl)benzoic acid;161622-06-6;3-chloro-4-propan-2-ylbenzoic acid;3-Chloro-4-isopropylbenzoic acid;SCHEMBL7598306;3-Chloro-4-isopropylbenzoicacid;DTXSID301284680;GS2654;MFCD20640283;AKOS017531887;3-Chloro-4-(1-methylethyl)benzoic acid;EN300-156811;Z1262516670

Chemical Property of 3-Chloro-4-(propan-2-yl)benzoic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chloro-4-(propan-2-yl)benzoic acid

There total 3 articles about 3-Chloro-4-(propan-2-yl)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:

2-chloro-1-isopropyl-4-methyl-benzene (4395-80-6) + nitric acid (7697-37-2,78989-43-2) → 2-chloro-4-methylbenzoic acid (7697-25-8) + 2-chloroterephthalic acid (1967-31-3) + 3-chloro-4-isopropyl-benzoic acid (161622-06-6)

Guidance literature:

Reference yield:

→ 3-chloro-4-isopropyl-benzoic acid (161622-06-6)

Guidance literature:

With nitric acid;

Reference yield:

→ 2-chloro-4-methylbenzoic acid (7697-25-8) + 3-chloro-4-isopropyl-benzoic acid (161622-06-6)

Guidance literature:

With nitric acid;

upstream raw materials:

2-chloro-1-isopropyl-4-methyl-benzene

nitric acid

Downstream raw materials:

p-isopropylbenzoic acid