3,3'-Azodibenzoic acid

• CAS: 621-18-1
• Catalog Number: ACM621181
• Category: Other Products
• Molecular Weight: 270.24
• Molecular Formula: C14H10N2O4
• Synonyms: 3,3-Azodibenzoic Acid, 621-18-1, Benzoic acid, 3,3-azobis-, ACMC-1BC3P, AC1LB824, CTK2F2273, CTK7I8586, Azobenzene-3,3-dicarboxylic Acid, AG-G-27548, AG-J-47015, 3-[(3-carboxyphenyl)diazenyl]benzoic acid, 3,3-(e)-diazene-1,2-diyldibenzoic acid, AZOBENZENE-3,3-DICARBOXYLIC ACID;AZONENZENE-3,3-DICARBOXYLIC ACID;3,3-AZODIBENZOIC ACID;AZOBENZENE-3,
• IUPAC Name: 3-[(3-carboxyphenyl)diazenyl]benzoic acid
• Canonical SMILES: C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
• InChI: InChI=1S/C14H10N2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
• InChI Key: QBVIXYABUQQSRY-UHFFFAOYSA-N
• Boiling Point: 561.434ºC at 760 mmHg
• Flash Point: 293.345ºC
• Density: 1.354g/cm³
• Complexity: 361
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 270.06405680g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Length: 0.5-2um
• Monoisotopic Mass: 270.06405680g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 99.3Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 2.8

Custom Reviews

June 16, 2023

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Practical materials
3,3'-Azodibenzoic acid is very useful, accurate and effective as a biological probe.

Synthetic Use

Downstream Synthesis Route 1

• 621-18-1

• 17557-76-5

Reference: [1] Justus Liebigs Annalen der Chemie, 1879, vol. 196, p. 29,30[2] Justus Liebigs Annalen der Chemie, 1880, vol. 203, p. 99

Downstream Synthesis Route 2

• 67-56-1
• 621-18-1

• 53171-92-9

Reference: [1]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN111072511, 2020, A
Location in patent: Paragraph 0116-0120
[2]Korschak; Winogradowa
[Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1959, p. 154,161; engl. Ausg. S. 138, 143]

Downstream Synthesis Route 3

• 621-18-1

• 621-17-0

Reference: [1]Strecker
[Justus Liebigs Annalen der Chemie, 1864, vol. 129, p. 141]
[2]Strecker
[Justus Liebigs Annalen der Chemie, 1864, vol. 129, p. 141]

Downstream Synthesis Route 4

• 621-18-1

• 17557-76-5

Reference: [1]Justus Liebigs Annalen der Chemie,1879,vol. 196,p. 29,30
Justus Liebigs Annalen der Chemie,1880,vol. 203,p. 99

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