4-Aminobenzoic acid

• CAS: 150-13-0
• Catalog Number: ACM150130-4
• Category: Amino Acids
• Molecular Weight: 137.14
• Molecular Formula: H2NC6H4CO2H
• Description: 4-Aminobenzoic acid, also known as para-aminobenzoic acid (PABA), is utilized as a precursor in the synthesis of aromatic amines and azo dyes.
• Synonyms: para-Aminobenzoic acid, PABA, Vitamin Bx, Vitamin H1
• IUPAC Name: 4-aminobenzoic acid
• Canonical SMILES: Nc1ccc(cc1)C(O)=O
• InChI: 1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
• InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N
• Melting Point: 187-189 ℃(lit.)
• Flash Point: 159.4ºC
• Density: 1.374
• Solubility: ethanol: 50 mg/mL, clear, colorless to faintly yellow
• Appearance: White to off white crystalline powder
• Application: 4-Aminobenzoic acid is used: As a building block in the synthesis of Polyamides As a substrate in folic acid production In the synthesis of Schiff base As an organic ligand in metal-organic framework (MOFs) synthesis
• Assay: ≥99%
• Beilstein: 471605
• Biological Source: synthetic (organic)
• Color/Form: Monoclinic prisms from dilute alcohol;Light buff crystals; white when pure;Yellowish to red crystals or prisms;White or slightly yellow crystals or crystalline powder
• Complexity: 128
• Covalently-Bonded Unit Count: 1
• EC Number: 205-753-0
• Exact Mass: 137.047678g/mol
• Form: powder
• Formal Charge: 0
• Hazard Codes: Xi
• Hazard Statements: Xn,Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 10
• HS Code: 29224995
• LogP: 1.54820
• MDL Number: MFCD00007894
• Monoisotopic Mass: 137.047678g/mol
• NACRES: NA.22
• NSC Number: 7627
• Odor: Odorless
• Other Experimental: May turn slightly yellow on prolonged exposure to light and air;Henry's Law constant = 1.5X10-10 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 4.0X10-11 cu cm/molecule sec at 25 °C (est)
• PSA: 63.32
• PubChem ID: 24891403
• Quality Level: 100
• Reaction Suitability: reaction type: solution phase peptide synthesis
• Refractive Index: 1.5795
• Rotatable Bond Count: 1
• RTECS Number: DG1400000
• Safety Description: 26-36-37/39
• Stability: Stable. Incompatible with strong oxidizing agents. Combustible. Sensitive to light and air. May discolour on exposure to light.
• Storage Conditions: 2-8ºC
• Storage Temperature: 2-8℃
• Supplemental Hazard Statements: H302-H315-H317-H319-H335-H413
• Symbol: GHS07
• UNII: TL2TJE8QTX
• Vapor Pressure: 3.45E-05mmHg at 25°C
• WGK Germany: 3
• XLogP3: 0.8

Synthetic Use

Downstream Synthesis Route 1

• 137-09-7
• 150-13-0

• 13676-47-6

Reference: [1] Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 119 - 121

Downstream Synthesis Route 2

• 150-13-0
• 95-86-3

• 13676-47-6

Reference: [1] Patent: WO2010/111483, 2010, A1, . Location in patent: Page/Page column 83

Downstream Synthesis Route 3

• 150-13-0

• 99071-54-2

Reference: [1] Patent: US2011/281865, 2011, A1,

Downstream Synthesis Route 4

• 91-22-5
• 98-88-4
• 150-13-0

• 582-80-9

Reference: [1]Chemische Berichte,1910,vol. 43,p. 2578

Downstream Synthesis Route 5

• 1004-75-7
• 5221-17-0
• 150-13-0

• 119-24-4

Reference: [1]Journal of the American Chemical Society,1948,vol. 70,p. 20,21,22

Downstream Synthesis Route 6

• 1004-75-7
• 3475-39-6
• 150-13-0

• 119-24-4

Reference: [1]Chemische Berichte,1949,vol. 82,p. 333,336

* For details of the synthesis route, please refer to the original source to ensure accuracy.