4-Amino-3,5-dichlorobenzoic acid

Base Information

• Chemical Name: 4-Amino-3,5-dichlorobenzoic acid
• CAS No.: 56961-25-2
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 29224999
• European Community (EC) Number: 260-468-9
• NSC Number: 100894
• UNII: BIK7NS3B2F
• DSSTox Substance ID: DTXSID30205526
• Nikkaji Number: J267.151D
• Wikidata: Q27274687
• Mol file: 56961-25-2.mol

Synonyms:4-amino-3,5-dichlorobenzoic acid

Chemical Property of 4-Amino-3,5-dichlorobenzoic acid

Chemical Property:

• Appearance/Colour: Cream powder
• Vapor Pressure: 2.56E-05mmHg at 25°C
• Melting Point: 290-293 °C(lit.)
• Boiling Point: 344.2 °C at 760 mmHg
• PKA: 4.12±0.10(Predicted)
• Flash Point: 162 °C
• PSA: 63.32000
• Density: 1.607 g/cm³
• LogP: 2.85500
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-3,5-dichlorobenzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)N)Cl)C(=O)O

Technology Process of 4-Amino-3,5-dichlorobenzoic acid

There total 14 articles about 4-Amino-3,5-dichlorobenzoic 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: 60.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-amino-3,5-dichlorobenzoic acid (56961-25-2)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; acetic acid; In water; at 60 ℃; for 4h; Solvent;

DOI:10.1021/op9800515

Reference yield:

2,6-dichloro-1-nitrobenzoic acid (69708-32-3) → 4-amino-3,5-dichlorobenzoic acid (56961-25-2)

Guidance literature:

With sodium azide; sulfuric acid; In chloroform; at 45 ℃; for 5h; Temperature; Cooling with ice;

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 4-methoxycarbonyl aniline (619-45-4) → 4-amino-3,5-dichlorobenzoic acid (56961-25-2)

Guidance literature:

upstream raw materials:

N-(3.5-dichloro-4-amino-benzoyl)-L-glutamic acid

3,5-dichloro-4-acetamidobenzoic acid

4-amino-benzoic acid

4-nitro-benzoic acid

Downstream raw materials:

3,5-dichlorobenzoic acid

3,5-dichloro-1-nitrobenzene

4-amino-3,5-bis(propylthio)benzoic acid

4-(4-(N,N-dimethylamino)phenyldiazo)-3,5-bis(propylthio)benzoic acid

Refernces

• 1、 Mukhopadhyay,Chandalia. "Oxidative chlorination, desulphonation, or decarboxylation to synthesize pharmaceutical intermediates: 2,6-Dichlorotoluene, 2,6-dichloroaniline, and 2,6-dichlorophenol". . p. 10 - 16. Retrieved 2013/09/08.
• 2、 Tait,Di Bella,Bondi,Quaglio,Fabio. "Carbamimidothioic acid phenylmethyl ester salts and their N,N'-tetramethyl derivatives as possible antimicrobial agents". . p. 617 - 630. Retrieved 2007/10/02.