5-Amino-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-Amino-2-chlorobenzoic acid
• CAS No.: 89-54-3
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 29224999
• European Community (EC) Number: 201-916-5
• NSC Number: 25172
• DSSTox Substance ID: DTXSID4058992
• Nikkaji Number: J79.437F
• Wikidata: Q72434264
• Mol file: 89-54-3.mol

Synonyms:5-Amino-2-chlorobenzoic acid;89-54-3;2-Chloro-5-aminobenzoic acid;Benzoic acid, 5-amino-2-chloro-;5-Amino-2-chlorobenzoicacid;5-Amino-2-chloro-benzoic acid;3-amino-6-chlorobenzoic acid;MFCD00007845;5-amino-2-chloro benzoic acid;EINECS 201-916-5;NSC 25172;3-carboxy-4-chloroaniline;NSC25172;5-amino-2-chlorbenzoesyre;6-Chlor-3-aminobenzoesaure;SCHEMBL81564;2-chloro-5-amino benzoic acid;DTXSID4058992;2-chloro-5-(amino)benzoic acid;2-amino-4-carboxy-5-chlorobenzene;4-amino-2-carboxy-1-chlorobenzene;BCP24539;AC8218;BBL027662;NSC-25172;STK345955;5-Amino-2-chlorobenzoic acid, 97%;AKOS000109248;CS-W017645;GS-3035;SY018051;AM20060233;BB 0245792;FT-0619976;EN300-25693;W-100372;5-Amino-2-chlorobenzoic acid, 85%, technical grade;Z214391864

Chemical Property of 5-Amino-2-chlorobenzoic acid

Chemical Property:

• Appearance/Colour: White-similar crystalline powder
• Vapor Pressure: 3.1E-06mmHg at 25°C
• Melting Point: 184-188 °C(lit.)
• Refractive Index: 1.648
• Boiling Point: 373.3 °C at 760 mmHg
• PKA: 1.99±0.25(Predicted)
• Flash Point: 179.6 °C
• PSA: 63.32000
• Density: 1.476 g/cm³
• LogP: 2.20160
• Storage Temp.: Store below +30°C.
• Solubility.: 479mg/l
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-chlorobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)C(=O)O)Cl
• Uses: 5-Amino-2-chlorobenzoic Acid is a reagent in the preparation of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL.

Technology Process of 5-Amino-2-chlorobenzoic acid

There total 10 articles about 5-Amino-2-chlorobenzoic 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: 97.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) → 2-chloro-5-aminobenzoic acid (89-54-3)

Guidance literature:

With hydrogen; platinum;

Reference yield: 88.0%

1-Methylethyl 2-chloro-5-[[1-methylethoxycarbonyl]amino]benzoate (135812-31-6) → 2-chloro-5-aminobenzoic acid (89-54-3)

Guidance literature:

With aluminium trichloride; In nitromethane; at 50 ℃; for 5h;

DOI:10.1055/s-2001-17466

Reference yield:

3-azidobenzoic acid (1843-35-2) → 3-amino-4-chloro-benzoic acid (2840-28-0) + 2-chloro-5-aminobenzoic acid (89-54-3)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

3-azidobenzoic acid

5-acetylamino-2-chloro-benzoic acid

hydrogenchloride

Downstream raw materials:

meta-aminobenzoic acid

5-acetylamino-2-chloro-benzoic acid

α-chloro-β-(3-carboxy-4-chlorophenyl)propionitrile

N-(4-chloro-3-carboxyphenyl)-N'-(3-chlorophenyl)urea

Refernces

• 1、 -. "Preparation method for 2-chloro-5-iodobenzoic acid". Paragraph 0029; 0030. . Retrieved 2017/07/21.
• 2、 Hari, Anitha,Miller, Benjamin L.. "Transfer catalysis between two solids: Application to the reduction of nitroarenes". . p. 2777 - 2779. Retrieved 2007/10/03.