3-Hydroxybenzoic acid

Base Information

• Chemical Name: 3-Hydroxybenzoic acid
• CAS No.: 99-06-9
• Molecular Formula: C7H6O3
• Molecular Weight: 138.123
• Hs Code.: 2918.21 Oral rat LD50: > 10 gm/kg
• European Community (EC) Number: 202-726-5
• NSC Number: 55746
• UNII: 2ZFW40OJ7U
• DSSTox Substance ID: DTXSID6021610
• Nikkaji Number: J43.202D
• Wikipedia: 3-Hydroxybenzoic_acid
• Wikidata: Q2823216
• Pharos Ligand ID: N6Y6R7CHXJ3X
• Metabolomics Workbench ID: 38164
• ChEMBL ID: CHEMBL65369
• Mol file: 99-06-9.mol

Synonyms:3-hydroxybenzoic acid;3-hydroxybenzoic acid, copper (2+) (1:1) salt;3-hydroxybenzoic acid, monosodium salt;sodium 3-hydroxybenzoic acid

Chemical Property of 3-Hydroxybenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 2.24E-05mmHg at 25°C
• Melting Point: 201 °C
• Boiling Point: 346.1 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 177.3 °C
• PSA: 57.53000
• Density: 1.375 g/cm³
• LogP: 1.09040
• Water Solubility.: slightly soluble
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.031694049
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=CC(=C1)O)C(=O)O

Technology Process of 3-Hydroxybenzoic acid

There total 186 articles about 3-Hydroxybenzoic 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: 9.0%

benzoic acid (65-85-0,8013-63-6) → 2,3-Dihydroxybenzoic acid (303-38-8) + 2,5-dihydroxybenzoic acid. (490-79-9) + 3-Carboxyphenol (99-06-9) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

With oxygen; iron(II) sulfate; In water; at 40 ℃; for 3h; Further byproducts given;

Reference yield: 4.0%

benzoic acid (65-85-0,8013-63-6) → 2,3-Dihydroxybenzoic acid (303-38-8) + 2,5-dihydroxybenzoic acid. (490-79-9) + 3-Carboxyphenol (99-06-9) + salicylic acid (69-72-7,25496-36-0,8052-31-1) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

With oxygen; iron(II) sulfate; In water; at 40 ℃; for 3h; Product distribution; pH 6.8 buffer;

Reference yield:

benzoic acid (65-85-0,8013-63-6) → 2,3-Dihydroxybenzoic acid (303-38-8) + 2,5-dihydroxybenzoic acid. (490-79-9) + 2,3,4-trihydroxybenzoic acid (610-02-6) + 3-Carboxyphenol (99-06-9) + salicylic acid (69-72-7,25496-36-0,8052-31-1) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

With hydrogenchloride; oxygen; iron(III) chloride; In water; Product distribution; Rate constant; Mechanism; hydroxylation by electrochemical Fenton reaction at pH=1, reaction time dependence;

DOI:10.1021/j100038a029

upstream raw materials:

Methyl 3-aminobenzoate

Piperonylic acid

3-Bromophenol

3-ethylphenol

Downstream raw materials:

3-acetoxybenzoic acid

3-benzyloxybenzoic acid

3-((4-chlorobenzyl)oxy)benzoic acid

3-ethoxybenzoic acid ethyl ester

Refernces

Reaction of 1-germatranol hydrate with carboxylic acids

10.1134/S1070363215120154

Chloroacetic Acid is a halogenated carboxylic acid used to form 1-(chloroacetoxy)germatrane. Cinnamic Acid is an aromatic carboxylic acid used to form 1-(benzylideneacetato)germatrane. 2-Fluorobenzoic Acid is a fluorinated aromatic carboxylic acid used to form 1-(2'-fluorobenzoyloxy)germatrane. 3-Bromobenzoic Acid is a brominated aromatic carboxylic acid used to form 1-(3'-bromobenzoyloxy)germatrane. 3-Hydroxybenzoic Acid is a hydroxylated aromatic carboxylic acid used to form 1-(3'-hydroxybenzoyloxy)germatrane. 3-Ethoxybenzoic Acid is an ethoxylated aromatic carboxylic acid used to form 1-(3'-ethoxybenzoyloxy)germatrane. These acids react with 1-germatranol hydrate to form the corresponding 1-acyloxygermatranes. The nature of the substituent (R) on the carboxylic acid affects the yield and properties of the resulting product.

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