2,1,3-Benzoxadiazole

• CAS: 273-09-6
• Catalog Number: ACM273096
• Category: Other Products
• Molecular Weight: 120.11
• Molecular Formula: C6H4N2O
• Synonyms: Benzofurazan, 2,1,3-Benzoxadiazole, Benzo-2,1,3-oxadiazole, 650137_ALDRICH, CID67501, ZINC00161248, KM06477, LS-41587, InChI=1/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4, 273-09-6
• IUPAC Name: 2,1,3-benzoxadiazole
• Canonical SMILES: C1=CC2=NON=C2C=C1
• InChI: InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
• InChI Key: AWBOSXFRPFZLOP-UHFFFAOYSA-N
• Boiling Point: 186ºC at 760 mmHg
• Melting Point: 53 °C
• Flash Point: 70.8ºC
• Density: 1.294 g/cm³
• Appearance: Light orange to Yellow to Green powder to crystal
• EC Number: 608-080-4
• Exact Mass: 120.03200
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• MDL Number: MFCD00068064
• Safety Description: 22-24/25
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 480-96-6
• 24309-97-5

• 273-09-6
• 6639-86-7
• 74003-63-7
• 112158-56-2
• 23696-28-8
• 40156-73-8

Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1989, vol. 331, # 5, p. 736 - 744

Upstream Synthesis Route 2

• 14208-17-4

• 273-09-6

Reference: [1]Justus Liebigs Annalen der Chemie,1899,vol. 307,p. 43
[2]Justus Liebigs Annalen der Chemie,1899,vol. 307,p. 43
[3]Justus Liebigs Annalen der Chemie,1899,vol. 307,p. 43
[4]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2094; engl. Ausg. S. 2131
[5]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2094; engl. Ausg. S. 2131

Upstream Synthesis Route 3

• 62022-23-5

• 273-09-6

Reference: [1]Helvetica Chimica Acta,1976,vol. 59,p. 2727 - 2737

Upstream Synthesis Route 4

• 7617-57-4

• 273-09-6

Reference: [1]Journal of Organic Chemistry,1961,vol. 26,p. 4684 - 4685

Downstream Synthesis Route 1

• 273-09-6

• 54286-63-4

Reference: [1] Journal of Materials Chemistry C, 2015, vol. 3, # 5, p. 973 - 976

Downstream Synthesis Route 2

• 273-09-6
• 68-12-2

• 32863-32-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 19, p. 5371 - 5375

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