3-Aminobenzoic acid hydrochloride

Base Information

• Chemical Name: 3-Aminobenzoic acid hydrochloride
• CAS No.: 15151-51-6
• Molecular Formula: C7H7 N O2 . Cl H
• Molecular Weight: 173.599
• Hs Code.: 2922499990
• European Community (EC) Number: 239-212-5
• DSSTox Substance ID: DTXSID70164800
• Mol file: 15151-51-6.mol

Synonyms:3-Aminobenzoic acid hydrochloride;15151-51-6;3-aminobenzoic acid;hydrochloride;3-Aminobenzoic acid HCl;EINECS 239-212-5;SCHEMBL2296707;DTXSID70164800;PTTMMENRLMBXGK-UHFFFAOYSA-N;MFCD00012973;AKOS015889406;Benzoic acid, m-amino-, hydrochloride;Benzoic acid, 3-amino-, hydrochloride;?3-AMINOBENZOIC ACID HYDROCHLORIDE;AS-61595;BP-20137;FT-0615026;FT-0615030;3-Aminobenzoic acid hydrochloride, >=99.0%;E83868;3-BOC-AMINO-2-PIPERIDINEACETICACIDETHYLESTER;F1908-0160

Chemical Property of 3-Aminobenzoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Melting Point: 260-280 °C (dec.)
• Boiling Point: 352.5°Cat760mmHg
• Flash Point: 167°C
• PSA: 63.32000
• Density: g/cm³
• LogP: 2.35020
• Sensitive.: Light Sensitive
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0243562
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

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

3-Aminobenzoic acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(=O)O.Cl
• Uses: 3-Aminobenzoic acid hydrochloride is useful in fabricating ratiometric nanoprobes.

Technology Process of 3-Aminobenzoic acid hydrochloride

There total 4 articles about 3-Aminobenzoic acid hydrochloride 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: 96.0%

3-nitrobenzoic acid (121-92-6) → 3-aminobenzoic acid hydrochloride (15151-51-6)

Guidance literature:

3-nitrobenzoic acid; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In diethyl ether; dichloromethane;

DOI:10.1002/ejoc.202100073

Reference yield:

meta-aminobenzoic acid (99-05-8,159139-79-4) → 3-aminobenzoic acid hydrochloride (15151-51-6)

Guidance literature:

With hydrogenchloride; In acetic acid; at 0.5 ℃;

Reference yield:

3-(formylamino)benzoic acid (28533-42-8) → 3-aminobenzoic acid hydrochloride (15151-51-6)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 40 ℃; Kinetics;

DOI:10.1002/kin.20925

upstream raw materials:

meta-aminobenzoic acid

3-(formylamino)benzoic acid

3-nitrobenzoic acid

Downstream raw materials:

C₂₁H₁₄N₈O₆

1,3-Dicyclohexylurea

3-isocyanato benzoyl chloride

3-aminobenzanilide

Refernces

• 1、 He, Xiao-Tong,Hong, Dan-Li,Chen, Chen,Chen, Fang-Hui,Zhai, Li-Hai,Guo, Li-Hong,Luo, Yang-Hui,Sun, Bai-Wang. "Comparison between the Acidification of Acidic and Alkalic Groups". . p. 437 - 443. Retrieved 2019.
• 2、 Desai, Salil Dileep,Kirsch, Lee E.. "The ortho effect on the acidic and alkaline hydrolysis of substituted formanilides". . p. 471 - 488. Retrieved 2015/06/30.